(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine

C19H33N — CID 155001633

IUPAC(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine
SMILESC=C(C)C(=C)/C=C\C(C)=C(/C)N(C)C(C)(CC)CCC
InChIInChI=1S/C19H33N/c1-10-14-19(8,11-2)20(9)18(7)17(6)13-12-16(5)15(3)4/h12-13H,3,5,10-11,14H2,1-2,4,6-9H3/b13-12-,18-17+
InChIKeyIOWAWNQVRAWGJC-BUPGLXBZSA-N
MW275.48 g/mol
LogP5.87
Rot. Bonds8

About (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine

(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine (PubChem CID 155001633) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine
PubChem CID155001633
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine
SMILESC=C(C)C(=C)/C=C\C(C)=C(/C)N(C)C(C)(CC)CCC
InChIInChI=1S/C19H33N/c1-10-14-19(8,11-2)20(9)18(7)17(6)13-12-16(5)15(3)4/h12-13H,3,5,10-11,14H2,1-2,4,6-9H3/b13-12-,18-17+
InChIKeyIOWAWNQVRAWGJC-BUPGLXBZSA-N
XLogP5.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
N,N-bis(2-ethylhexyl)-3-propan-2-ylidenecyclohexen-1-amine
CID 68377409
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-4-methylhept-1-enyl]-3,4-dihydro-2H-azepine
CID 71119976
7-(2,4-dimethylpentyl)-1,5,5-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71119988
(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
CID 71119994
(4R)-7-(2,4-dimethylpentyl)-1,4,5,5-tetramethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71120000
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-5-methylhex-1-enyl]-3,4-dihydro-2H-azepine
CID 71120001
2-Buta-2,3-dienylidene-4-butan-2-yl-6-methyl-3-pentylidene-1-(2,3,7-trimethylocta-3,5,7-trienyl)pyridine
CID 123625130
N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine
CID 123632350
N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine
CID 123943329
(3Z,5E)-5,9-ditert-butyl-1,11a-dimethyl-7,11-dihydro-2H-1-benzazonine
CID 126711773
(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine
CID 130371417

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine?
The IUPAC name of (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine (CID 155001633) is (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine?
The canonical SMILES for (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine is C=C(C)C(=C)/C=C\C(C)=C(/C)N(C)C(C)(CC)CCC.
What is the InChIKey of (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine?
The InChIKey is IOWAWNQVRAWGJC-BUPGLXBZSA-N. The full InChI is InChI=1S/C19H33N/c1-10-14-19(8,11-2)20(9)18(7)17(6)13-12-16(5)15(3)4/h12-13H,3,5,10-11,14H2,1-2,4,6-9H3/b13-12-,18-17+.
What are the key properties of (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine?
(2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,3,7-trimethyl-N-(3-methylhexan-3-yl)-6-methylideneocta-2,4,7-trien-2-amine is sourced from PubChem (CID 155001633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).