(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine

C29H48N2 — CID 142919845

IUPAC(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C
InChIInChI=1S/C29H48N2/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3/b18-16-,24-21+,27-13-,29-15-,30-26+
InChIKeyLCKRMKOJSKYZJU-YSGWTWIDSA-N
MW424.72 g/mol
LogP8.61
Rot. Bonds14

About (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine

(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine (PubChem CID 142919845) has the molecular formula C29H48N2 and a molecular weight of 424.72 g/mol. Its IUPAC name is (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
PubChem CID142919845
Molecular FormulaC29H48N2
Molecular Weight424.72 g/mol
Exact Mass424.38
IUPAC Name(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C
InChIInChI=1S/C29H48N2/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3/b18-16-,24-21+,27-13-,29-15-,30-26+
InChIKeyLCKRMKOJSKYZJU-YSGWTWIDSA-N
XLogP8.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine with MolForge

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Related Compounds

Octaethylporphycene
CID 129735293
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276
2-Diethylamino-3h-acridine
CID 137346134
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
CID 91049889
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
N-butyl-3-ethylidene-5,8-dimethyl-6-methylidene-N-propyltrideca-1,4,7,9,12-pentaen-2-amine
CID 123504158
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
CID 123685297
(4-Ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
CID 123849884

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The IUPAC name of (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine (CID 142919845) is (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine.
What is the SMILES notation for (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The canonical SMILES for (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine is C=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C.
What is the InChIKey of (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The InChIKey is LCKRMKOJSKYZJU-YSGWTWIDSA-N. The full InChI is InChI=1S/C29H48N2/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3/b18-16-,24-21+,27-13-,29-15-,30-26+.
What are the key properties of (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine has a molecular weight of 424.72 g/mol, XLogP of 8.61, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine is sourced from PubChem (CID 142919845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).