(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine

C21H40N2 — CID 156749365

IUPAC(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine
SMILESC=C(CCC(CCC)CCCC)C(CC(=C/C)/N=C/C)N(C)C
InChIInChI=1S/C21H40N2/c1-8-12-14-19(13-9-2)16-15-18(5)21(23(6)7)17-20(10-3)22-11-4/h10-11,19,21H,5,8-9,12-17H2,1-4,6-7H3/b20-10-,22-11+
InChIKeyULGOAYLLGVLQJQ-VPAXRDDUSA-N
MW320.56 g/mol
LogP6.24
Rot. Bonds13

About (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine

(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine (PubChem CID 156749365) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine.

Molecular Properties

Compound Name(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine
PubChem CID156749365
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine
SMILESC=C(CCC(CCC)CCCC)C(CC(=C/C)/N=C/C)N(C)C
InChIInChI=1S/C21H40N2/c1-8-12-14-19(13-9-2)16-15-18(5)21(23(6)7)17-20(10-3)22-11-4/h10-11,19,21H,5,8-9,12-17H2,1-4,6-7H3/b20-10-,22-11+
InChIKeyULGOAYLLGVLQJQ-VPAXRDDUSA-N
XLogP6.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
CID 123241621
Butylidene-[5-(3,4-dimethylhept-1-en-2-yl)-4-ethyl-2-methylcyclohex-3-en-1-yl]-methylazanium
CID 123398825
6,7-dimethyl-N-(4-methylhept-5-en-3-yl)-N-(2-methylhex-4-en-3-yl)-1-(methylideneamino)deca-1,7-dien-2-amine
CID 123570591
12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
CID 123603822
Methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
CID 123932437
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
(E)-N-(4-butyl-5-methyldec-1-en-2-yl)-3-methylhept-2-en-1-imine;ethane
CID 141939864
(Z)-1-[2-[[(E)-hept-4-enylidene]amino]-3-pentylcyclopropyl]-N,3-dimethyl-N-propan-2-ylhex-1-en-1-amine
CID 156395360
(E,3Z,4E,8Z)-5-ethenyl-3-ethylidene-8-[2-(5-methyl-1-oct-7-en-4-yl-3,6-dihydro-2H-pyridin-4-yl)ethylidene]-4-[(Z)-pent-2-enylidene]-N-prop-1-en-2-yldodec-9-en-1-imine
CID 173815931
(E)-N-(4-butyl-5-methyldec-1-en-2-yl)-3-methylhept-2-en-1-imine
CID 141939865
N-hex-1-en-2-yl-N,2,5-trimethyl-6-[(3Z)-2-methylpenta-1,3-dien-3-yl]iminoheptan-3-amine
CID 144184589
(4E)-4-[4,5-dimethyl-1-(3-propylhex-5-en-2-yl)-3H-pyrrol-2-ylidene]-N-methylbutan-1-imine
CID 144683552

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine?
The IUPAC name of (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine (CID 156749365) is (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine.
What is the SMILES notation for (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine?
The canonical SMILES for (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine is C=C(CCC(CCC)CCCC)C(CC(=C/C)/N=C/C)N(C)C.
What is the InChIKey of (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine?
The InChIKey is ULGOAYLLGVLQJQ-VPAXRDDUSA-N. The full InChI is InChI=1S/C21H40N2/c1-8-12-14-19(13-9-2)16-15-18(5)21(23(6)7)17-20(10-3)22-11-4/h10-11,19,21H,5,8-9,12-17H2,1-4,6-7H3/b20-10-,22-11+.
What are the key properties of (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine?
(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine has a molecular weight of 320.56 g/mol, XLogP of 6.24, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine is sourced from PubChem (CID 156749365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).