(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine

C22H40N2 — CID 170408527

IUPAC(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine
SMILESCCCN(CCC)CCC/C(C)=C/C=C(\C)C(=C(C)C)/C(C)=N/C
InChIInChI=1S/C22H40N2/c1-9-15-24(16-10-2)17-11-12-19(5)13-14-20(6)22(18(3)4)21(7)23-8/h13-14H,9-12,15-17H2,1-8H3/b19-13+,20-14+,23-21+
InChIKeyQVRAGYXJYGMDMR-VOGCKLQOSA-N
MW332.58 g/mol
LogP6.21
Rot. Bonds11

About (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine

(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine (PubChem CID 170408527) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine.

Molecular Properties

Compound Name(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine
PubChem CID170408527
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine
SMILESCCCN(CCC)CCC/C(C)=C/C=C(\C)C(=C(C)C)/C(C)=N/C
InChIInChI=1S/C22H40N2/c1-9-15-24(16-10-2)17-11-12-19(5)13-14-20(6)22(18(3)4)21(7)23-8/h13-14H,9-12,15-17H2,1-8H3/b19-13+,20-14+,23-21+
InChIKeyQVRAGYXJYGMDMR-VOGCKLQOSA-N
XLogP6.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.21
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'}

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Related Compounds

[4-(2-Cyclohexa-2,5-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]-dihexylazanium
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N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
CID 90909657
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
1-Butyl-4-ethyl-2,2,6-trimethyl-5-propan-2-ylidenepyridin-1-ium
CID 91520850
(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
CID 122582714
N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
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(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
N-[[4-[(1-pentan-2-ylpiperidin-4-ylidene)methylidene]cyclohexa-1,5-dien-1-yl]methyl]butan-2-imine
CID 123432257
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
N-[2-[[(6Z)-6-[(E)-but-2-enylidene]-4-methylcyclohexa-2,4-dien-1-ylidene]amino]ethyl]-N-ethyl-4-methylpent-4-en-1-amine
CID 137417400
N-[[5-[(Z,3Z,4E)-3-butan-2-ylidene-4-ethylidene-5-methyliminooct-6-enyl]-2-propylcyclohepta-1,4,6-trien-1-yl]methyl]-N-methylethanamine
CID 139353526
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine?
The IUPAC name of (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine (CID 170408527) is (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine.
What is the SMILES notation for (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine?
The canonical SMILES for (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine is CCCN(CCC)CCC/C(C)=C/C=C(\C)C(=C(C)C)/C(C)=N/C.
What is the InChIKey of (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine?
The InChIKey is QVRAGYXJYGMDMR-VOGCKLQOSA-N. The full InChI is InChI=1S/C22H40N2/c1-9-15-24(16-10-2)17-11-12-19(5)13-14-20(6)22(18(3)4)21(7)23-8/h13-14H,9-12,15-17H2,1-8H3/b19-13+,20-14+,23-21+.
What are the key properties of (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine?
(4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine has a molecular weight of 332.58 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8-(C,N-dimethylcarbonimidoyl)-4,7,9-trimethyl-N,N-dipropyldeca-4,6,8-trien-1-amine is sourced from PubChem (CID 170408527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).