N-(cyclobutylmethyl)-2-cyclohexylethanamine

C13H25N — CID 65457561

IUPACN-(cyclobutylmethyl)-2-cyclohexylethanamine
SMILESC1CCC(CCNCC2CCC2)CC1
InChIInChI=1S/C13H25N/c1-2-5-12(6-3-1)9-10-14-11-13-7-4-8-13/h12-14H,1-11H2
InChIKeyLGBAPKMPEWZDOQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclobutylmethyl)-2-cyclohexylethanamine

N-(cyclobutylmethyl)-2-cyclohexylethanamine (PubChem CID 65457561) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-cyclohexylethanamine
PubChem CID65457561
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(cyclobutylmethyl)-2-cyclohexylethanamine
SMILESC1CCC(CCNCC2CCC2)CC1
InChIInChI=1S/C13H25N/c1-2-5-12(6-3-1)9-10-14-11-13-7-4-8-13/h12-14H,1-11H2
InChIKeyLGBAPKMPEWZDOQ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
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

2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
CID 115207859
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-(cycloundecylmethylamino)ethanol
CID 123930521
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-cyclohexylethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-cyclohexylethanamine (CID 65457561) is N-(cyclobutylmethyl)-2-cyclohexylethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-cyclohexylethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-cyclohexylethanamine is C1CCC(CCNCC2CCC2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-cyclohexylethanamine?
The InChIKey is LGBAPKMPEWZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-5-12(6-3-1)9-10-14-11-13-7-4-8-13/h12-14H,1-11H2.
What are the key properties of N-(cyclobutylmethyl)-2-cyclohexylethanamine?
N-(cyclobutylmethyl)-2-cyclohexylethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-cyclohexylethanamine is sourced from PubChem (CID 65457561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).