N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine

C18H35N — CID 114477761

IUPACN-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CC(CCC)CCC1CNCCC
InChIInChI=1S/C18H35N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h16-19H,3,5-14H2,1-2,4H3
InChIKeyUTDQWYJQWIIIPC-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.17
Rot. Bonds9

About N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 114477761) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID114477761
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CC(CCC)CCC1CNCCC
InChIInChI=1S/C18H35N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h16-19H,3,5-14H2,1-2,4H3
InChIKeyUTDQWYJQWIIIPC-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
CID 25242507
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
CID 44570775
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine
CID 44570707
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
CID 44570708
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclohexanamine
CID 44570709
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclooctanamine
CID 44570710
N-butyl-2-methylidene-4-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexyl]butan-1-amine
CID 139457173
3-(2,4-dimethylcyclohexyl)-N-methyl-2-(4-methylcyclohex-3-en-1-yl)but-3-en-1-amine
CID 68030230
(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine
CID 70254094
N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine
CID 70383627
(3R)-3-[2-(2-ethenyl-3-methylcyclohexyl)cyclobutyl]-N-methyl-3-[(3S)-3-methyl-2-methylidenecyclohexyl]propan-1-amine
CID 89203858
N-heptyl-2-[1-(1-methyl-4-propan-2-ylcyclohexyl)buta-2,3-dien-2-yl]octan-1-amine
CID 90828571

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 114477761) is N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine is C=C(C)CCC1CC(CCC)CCC1CNCCC.
What is the InChIKey of N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is UTDQWYJQWIIIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-7-16-9-11-18(14-19-12-6-2)17(13-16)10-8-15(3)4/h16-19H,3,5-14H2,1-2,4H3.
What are the key properties of N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 114477761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).