(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine

C30H47N — CID 167159341

IUPAC(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine
SMILESC=C/C=C\C=C(\CC(/C=C\C)=C/C)C(C)(CC(=C)C(/C=C\C)=C(/C)CC)N(CC)CC
InChIInChI=1S/C30H47N/c1-11-18-19-22-28(23-27(15-5)20-12-2)30(10,31(16-6)17-7)24-26(9)29(21-13-3)25(8)14-4/h11-13,15,18-22H,1,9,14,16-17,23-24H2,2-8,10H3/b19-18-,20-12-,21-13-,27-15+,28-22-,29-25-
InChIKeyNZZKHVNDNLDZNJ-KQNHQVSCSA-N
MW421.71 g/mol
LogP8.92
Rot. Bonds14

About (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine

(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine (PubChem CID 167159341) has the molecular formula C30H47N and a molecular weight of 421.71 g/mol. Its IUPAC name is (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine.

Molecular Properties

Compound Name(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine
PubChem CID167159341
Molecular FormulaC30H47N
Molecular Weight421.71 g/mol
Exact Mass421.37
IUPAC Name(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine
SMILESC=C/C=C\C=C(\CC(/C=C\C)=C/C)C(C)(CC(=C)C(/C=C\C)=C(/C)CC)N(CC)CC
InChIInChI=1S/C30H47N/c1-11-18-19-22-28(23-27(15-5)20-12-2)30(10,31(16-6)17-7)24-26(9)29(21-13-3)25(8)14-4/h11-13,15,18-22H,1,9,14,16-17,23-24H2,2-8,10H3/b19-18-,20-12-,21-13-,27-15+,28-22-,29-25-
InChIKeyNZZKHVNDNLDZNJ-KQNHQVSCSA-N
XLogP8.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123042
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
CID 130242940
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 155347472
(4S)-5-ethyl-1-[3-(1-fluoroethenyl)cyclohepta-1,2,4,6-tetraen-1-yl]-4-(2-fluoroethyl)-2-methyl-N,N-dipropylnon-8-en-4-amine
CID 174279458
N,N-bis(2-ethylhexyl)cyclohex-2-en-1-amine
CID 258792
2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
CID 10947963
1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 18783356
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
CID 22443858
N-butyl-N-[2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295272

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine?
The IUPAC name of (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine (CID 167159341) is (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine.
What is the SMILES notation for (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine?
The canonical SMILES for (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine is C=C/C=C\C=C(\CC(/C=C\C)=C/C)C(C)(CC(=C)C(/C=C\C)=C(/C)CC)N(CC)CC.
What is the InChIKey of (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine?
The InChIKey is NZZKHVNDNLDZNJ-KQNHQVSCSA-N. The full InChI is InChI=1S/C30H47N/c1-11-18-19-22-28(23-27(15-5)20-12-2)30(10,31(16-6)17-7)24-26(9)29(21-13-3)25(8)14-4/h11-13,15,18-22H,1,9,14,16-17,23-24H2,2-8,10H3/b19-18-,20-12-,21-13-,27-15+,28-22-,29-25-.
What are the key properties of (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine?
(3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine has a molecular weight of 421.71 g/mol, XLogP of 8.92, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,10Z)-N,N-diethyl-6-[(Z,2Z)-2-ethylidenepent-3-enyl]-7,11-dimethyl-9-methylidene-10-[(Z)-prop-1-enyl]trideca-1,3,5,10-tetraen-7-amine is sourced from PubChem (CID 167159341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).