N-[(1-hexylcyclohexyl)methyl]propan-1-amine

C16H33N — CID 63508687

IUPACN-[(1-hexylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCCC1(CNCCC)CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-6-8-11-16(15-17-14-4-2)12-9-7-10-13-16/h17H,3-15H2,1-2H3
InChIKeyYVRQYADAQLMJNM-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.91
Rot. Bonds9

About N-[(1-hexylcyclohexyl)methyl]propan-1-amine

N-[(1-hexylcyclohexyl)methyl]propan-1-amine (PubChem CID 63508687) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(1-hexylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-hexylcyclohexyl)methyl]propan-1-amine
PubChem CID63508687
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(1-hexylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCCC1(CNCCC)CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-6-8-11-16(15-17-14-4-2)12-9-7-10-13-16/h17H,3-15H2,1-2H3
InChIKeyYVRQYADAQLMJNM-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.91
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-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-hexylcyclohexyl)methyl]propan-1-amine (CID 63508687) is N-[(1-hexylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-hexylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-hexylcyclohexyl)methyl]propan-1-amine is CCCCCCC1(CNCCC)CCCCC1.
What is the InChIKey of N-[(1-hexylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YVRQYADAQLMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-6-8-11-16(15-17-14-4-2)12-9-7-10-13-16/h17H,3-15H2,1-2H3.
What are the key properties of N-[(1-hexylcyclohexyl)methyl]propan-1-amine?
N-[(1-hexylcyclohexyl)methyl]propan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63508687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).