N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine

C20H33N — CID 126729033

IUPACN-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine
SMILESC/C=C\C(=C/C)C(C)(/C=C\CC)NC1C=CC(C)(C)CC1
InChIInChI=1S/C20H33N/c1-7-10-14-20(6,17(9-3)11-8-2)21-18-12-15-19(4,5)16-13-18/h8-12,14-15,18,21H,7,13,16H2,1-6H3/b11-8-,14-10-,17-9+
InChIKeyUHZRASLOYWJFKG-LPRQFHRUSA-N
MW287.49 g/mol
LogP5.57
Rot. Bonds6

About N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine

N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine (PubChem CID 126729033) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine
PubChem CID126729033
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine
SMILESC/C=C\C(=C/C)C(C)(/C=C\CC)NC1C=CC(C)(C)CC1
InChIInChI=1S/C20H33N/c1-7-10-14-20(6,17(9-3)11-8-2)21-18-12-15-19(4,5)16-13-18/h8-12,14-15,18,21H,7,13,16H2,1-6H3/b11-8-,14-10-,17-9+
InChIKeyUHZRASLOYWJFKG-LPRQFHRUSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
CID 138663224
N-(5,5-dimethyl-2-hexenyl)-1,1,3,3-tetramethylbutylamine
CID 129658205
(e)-N-(2,4,4-trimethylpent-2-yl)undec-2-en-1-amine
CID 146018475
4-[(2S,6S)-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
CID 7707966
6-butyl-6-methyl-2,3-dihydro-1H-pyridine
CID 11974287
(2E,4E,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 24816046
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940473
N,4,4-trimethylcyclohex-2-en-1-amine
CID 56979088
(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 58372010
2-(2,2-Dimethylpropyl)-1,2,3,6-tetrahydropyridine
CID 58911953

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine?
The IUPAC name of N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine (CID 126729033) is N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine is C/C=C\C(=C/C)C(C)(/C=C\CC)NC1C=CC(C)(C)CC1.
What is the InChIKey of N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine?
The InChIKey is UHZRASLOYWJFKG-LPRQFHRUSA-N. The full InChI is InChI=1S/C20H33N/c1-7-10-14-20(6,17(9-3)11-8-2)21-18-12-15-19(4,5)16-13-18/h8-12,14-15,18,21H,7,13,16H2,1-6H3/b11-8-,14-10-,17-9+.
What are the key properties of N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine?
N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-4-ethylidene-5-methylnona-2,6-dien-5-yl]-4,4-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 126729033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).