N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine

C22H38N2 — CID 123685297

IUPACN,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
SMILESC=C(C)C(=C\C=C(C)C)/C(/C=C\C)=N\C(C)CCCN(CC)CC
InChIInChI=1S/C22H38N2/c1-9-13-22(21(19(6)7)16-15-18(4)5)23-20(8)14-12-17-24(10-2)11-3/h9,13,15-16,20H,6,10-12,14,17H2,1-5,7-8H3/b13-9-,21-16+,23-22-
InChIKeyYQTNWZXNCNINFL-WCUXBPNNSA-N
MW330.56 g/mol
LogP5.98
Rot. Bonds11

About N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine

N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine (PubChem CID 123685297) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
PubChem CID123685297
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC NameN,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
SMILESC=C(C)C(=C\C=C(C)C)/C(/C=C\C)=N\C(C)CCCN(CC)CC
InChIInChI=1S/C22H38N2/c1-9-13-22(21(19(6)7)16-15-18(4)5)23-20(8)14-12-17-24(10-2)11-3/h9,13,15-16,20H,6,10-12,14,17H2,1-5,7-8H3/b13-9-,21-16+,23-22-
InChIKeyYQTNWZXNCNINFL-WCUXBPNNSA-N
XLogP5.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.98
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 N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine with MolForge

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Related Compounds

[4-(2-Cyclohexa-2,5-dien-1-ylideneethylidene)cyclohexa-2,5-dien-1-ylidene]-dihexylazanium
CID 89955934
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-[(3E,4E)-3-(2-cyclohexa-1,5-dien-1-yl-2-ethenyliminoethylidene)hepta-4,6-dien-2-yl]-N,N-diethylpiperidin-4-amine
CID 117611664
(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
CID 123264969
(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,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine
CID 123797413
N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
CID 123858189
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine?
The IUPAC name of 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) is N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine.
What is the SMILES notation for N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine?
The canonical SMILES for N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine is C=C(C)C(=C\C=C(C)C)/C(/C=C\C)=N\C(C)CCCN(CC)CC.
What is the InChIKey of N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine?
The InChIKey is YQTNWZXNCNINFL-WCUXBPNNSA-N. The full InChI is InChI=1S/C22H38N2/c1-9-13-22(21(19(6)7)16-15-18(4)5)23-20(8)14-12-17-24(10-2)11-3/h9,13,15-16,20H,6,10-12,14,17H2,1-5,7-8H3/b13-9-,21-16+,23-22-.
What are the key properties of N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine?
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine has a molecular weight of 330.56 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine is sourced from PubChem (CID 123685297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).