N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine

C24H39N — CID 123632350

IUPACN-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine
SMILESC=C1CC(C)C=CC=C=CC1C(=CCCCC)N(C)CCCCCC
InChIInChI=1S/C24H39N/c1-6-8-10-15-19-25(5)24(18-12-9-7-2)23-17-14-11-13-16-21(3)20-22(23)4/h11,13,16-18,21,23H,4,6-10,12,15,19-20H2,1-3,5H3
InChIKeyKGKGGAMULCPBEZ-UHFFFAOYSA-N
MW341.58 g/mol
LogP7.05
Rot. Bonds10

About N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine

N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine (PubChem CID 123632350) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine.

Molecular Properties

Compound NameN-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine
PubChem CID123632350
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC NameN-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine
SMILESC=C1CC(C)C=CC=C=CC1C(=CCCCC)N(C)CCCCCC
InChIInChI=1S/C24H39N/c1-6-8-10-15-19-25(5)24(18-12-9-7-2)23-17-14-11-13-16-21(3)20-22(23)4/h11,13,16-18,21,23H,4,6-10,12,15,19-20H2,1-3,5H3
InChIKeyKGKGGAMULCPBEZ-UHFFFAOYSA-N
XLogP7.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
N-[(1E,3S)-3,7-dimethylocta-1,6-dienyl]-N-ethylcyclohexanamine
CID 134933133
(E)-N-(3,4-dimethylhex-1-en-2-yl)-N-ethyloct-3-en-1-amine
CID 18717522
N-butyl-N-[2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295279
4-propan-2-yl-1-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-3,6-dihydro-2H-pyridine
CID 57613172
1,4-Dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
N-(cyclopropylmethyl)-2,3,7-trimethyl-N-(3-methylbut-1-en-2-yl)oct-6-en-1-amine
CID 68302220
3-cyclohexa-2,4-dien-1-yl-2,3-dimethyl-N-(2-methylpropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302544
N,N-bis(2-ethylhexyl)-3-propan-2-ylidenecyclohexen-1-amine
CID 68377409
N-ethyl-N-[3-(4-methylcyclohexa-2,4-dien-1-yl)propyl]heptan-2-amine
CID 70230155

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine?
The IUPAC name of N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine (CID 123632350) is N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine.
What is the SMILES notation for N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine?
The canonical SMILES for N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine is C=C1CC(C)C=CC=C=CC1C(=CCCCC)N(C)CCCCCC.
What is the InChIKey of N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine?
The InChIKey is KGKGGAMULCPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-6-8-10-15-19-25(5)24(18-12-9-7-2)23-17-14-11-13-16-21(3)20-22(23)4/h11,13,16-18,21,23H,4,6-10,12,15,19-20H2,1-3,5H3.
What are the key properties of N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine?
N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine has a molecular weight of 341.58 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine is sourced from PubChem (CID 123632350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).