(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine

C23H43N — CID 139353517

IUPAC(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine
SMILESC/C=C(/C=C\C(CCN(C)CCCCCCC)=C(/C)CC)CCC
InChIInChI=1S/C23H43N/c1-7-11-12-13-14-19-24(6)20-18-23(21(5)9-3)17-16-22(10-4)15-8-2/h10,16-17H,7-9,11-15,18-20H2,1-6H3/b17-16-,22-10+,23-21-
InChIKeyLQYPPNMZRYLVAC-NTOQIVIYSA-N
MW333.60 g/mol
LogP7.31
Rot. Bonds14

About (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine

(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine (PubChem CID 139353517) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine.

Molecular Properties

Compound Name(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine
PubChem CID139353517
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine
SMILESC/C=C(/C=C\C(CCN(C)CCCCCCC)=C(/C)CC)CCC
InChIInChI=1S/C23H43N/c1-7-11-12-13-14-19-24(6)20-18-23(21(5)9-3)17-16-22(10-4)15-8-2/h10,16-17H,7-9,11-15,18-20H2,1-6H3/b17-16-,22-10+,23-21-
InChIKeyLQYPPNMZRYLVAC-NTOQIVIYSA-N
XLogP7.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Oleyldimethylamine
CID 5357010
13-Docosen-1-amine, N,N-dimethyl-, (13Z)-
CID 87068691
(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine
CID 448904
9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 22958
Ethyldimethyl-oleylammonium bromide
CID 6433482
Ethyldimethyl-9-octadecenylammonium bromide
CID 20838111
Dioleyldimethylammonium chloride
CID 6436349
(9Z)-N-Methyl-N-(9Z)-9-octadecenyl-9-octadecen-1-amine
CID 15706419
Villatamine B
CID 10106828
(2S)-2-[(3E,5E)-dodeca-3,5-dienyl]-1-ethylpyrrolidine
CID 44471013
2-Aza-2-dihydrosqualene
CID 6439791
N,N-Diethylazasqualene
CID 6439792

Frequently Asked Questions

What is the IUPAC name of (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine?
The IUPAC name of (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine (CID 139353517) is (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine.
What is the SMILES notation for (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine?
The canonical SMILES for (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine is C/C=C(/C=C\C(CCN(C)CCCCCCC)=C(/C)CC)CCC.
What is the InChIKey of (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine?
The InChIKey is LQYPPNMZRYLVAC-NTOQIVIYSA-N. The full InChI is InChI=1S/C23H43N/c1-7-11-12-13-14-19-24(6)20-18-23(21(5)9-3)17-16-22(10-4)15-8-2/h10,16-17H,7-9,11-15,18-20H2,1-6H3/b17-16-,22-10+,23-21-.
What are the key properties of (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine?
(Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine has a molecular weight of 333.60 g/mol, XLogP of 7.31, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E,6E)-3-butan-2-ylidene-6-ethylidene-N-heptyl-N-methylnon-4-en-1-amine is sourced from PubChem (CID 139353517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).