N-methyl-1-(1-pentylcyclohexyl)methanamine

C13H27N — CID 62725569

IUPACN-methyl-1-(1-pentylcyclohexyl)methanamine
SMILESCCCCCC1(CNC)CCCCC1
InChIInChI=1S/C13H27N/c1-3-4-6-9-13(12-14-2)10-7-5-8-11-13/h14H,3-12H2,1-2H3
InChIKeyHZJSJVBNIYDOLE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-1-(1-pentylcyclohexyl)methanamine

N-methyl-1-(1-pentylcyclohexyl)methanamine (PubChem CID 62725569) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-1-(1-pentylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pentylcyclohexyl)methanamine
PubChem CID62725569
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-1-(1-pentylcyclohexyl)methanamine
SMILESCCCCCC1(CNC)CCCCC1
InChIInChI=1S/C13H27N/c1-3-4-6-9-13(12-14-2)10-7-5-8-11-13/h14H,3-12H2,1-2H3
InChIKeyHZJSJVBNIYDOLE-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.74
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

1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
(1-hexylcyclohexyl)methanol
CID 66024993
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pentylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(1-pentylcyclohexyl)methanamine (CID 62725569) is N-methyl-1-(1-pentylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-pentylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(1-pentylcyclohexyl)methanamine is CCCCCC1(CNC)CCCCC1.
What is the InChIKey of N-methyl-1-(1-pentylcyclohexyl)methanamine?
The InChIKey is HZJSJVBNIYDOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-6-9-13(12-14-2)10-7-5-8-11-13/h14H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(1-pentylcyclohexyl)methanamine?
N-methyl-1-(1-pentylcyclohexyl)methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pentylcyclohexyl)methanamine is sourced from PubChem (CID 62725569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).