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

C18H35N — CID 114477770

IUPACN-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CC(C(C)C)CCC1CNCCC
InChIInChI=1S/C18H35N/c1-6-11-19-13-18-10-9-16(15(4)5)12-17(18)8-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3
InChIKeyVZVDPRBAFOKKBE-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.03
Rot. Bonds8

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

N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 114477770) 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-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID114477770
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CC(C(C)C)CCC1CNCCC
InChIInChI=1S/C18H35N/c1-6-11-19-13-18-10-9-16(15(4)5)12-17(18)8-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3
InChIKeyVZVDPRBAFOKKBE-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.03
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-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
CID 81032712
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 107059337
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 114477770) is N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is C=C(C)CCC1CC(C(C)C)CCC1CNCCC.
What is the InChIKey of N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is VZVDPRBAFOKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-11-19-13-18-10-9-16(15(4)5)12-17(18)8-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3.
What are the key properties of N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.03, 8 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-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 114477770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).