N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine

C15H31N — CID 63509381

IUPACN-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCC(C)C)CCCCC1
InChIInChI=1S/C15H31N/c1-4-12-16-13-15(11-8-14(2)3)9-6-5-7-10-15/h14,16H,4-13H2,1-3H3
InChIKeyCPXWOMLJJWBLKZ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine

N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63509381) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63509381
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCC(C)C)CCCCC1
InChIInChI=1S/C15H31N/c1-4-12-16-13-15(11-8-14(2)3)9-6-5-7-10-15/h14,16H,4-13H2,1-3H3
InChIKeyCPXWOMLJJWBLKZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
N-[[1-(3-methylbutyl)cyclopropyl]methyl]ethanamine
CID 66026435
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 103984489
N-[[1-(trimethylsilylmethyl)cyclopentyl]methyl]propan-1-amine
CID 106323454
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
CID 62271318
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine (CID 63509381) is N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(CCC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is CPXWOMLJJWBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-12-16-13-15(11-8-14(2)3)9-6-5-7-10-15/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63509381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).