1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide

C15H28N2O2 — CID 115448369

IUPAC1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCCOC2CCCCC2)CCC1
InChIInChI=1S/C15H28N2O2/c16-12-15(8-4-9-15)14(18)17-10-5-11-19-13-6-2-1-3-7-13/h13H,1-12,16H2,(H,17,18)
InChIKeyNTRZWDQKGQDYEG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds7

About 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide (PubChem CID 115448369) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
PubChem CID115448369
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCCOC2CCCCC2)CCC1
InChIInChI=1S/C15H28N2O2/c16-12-15(8-4-9-15)14(18)17-10-5-11-19-13-6-2-1-3-7-13/h13H,1-12,16H2,(H,17,18)
InChIKeyNTRZWDQKGQDYEG-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122570338
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide (CID 115448369) is 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCCCOC2CCCCC2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide?
The InChIKey is NTRZWDQKGQDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-12-15(8-4-9-15)14(18)17-10-5-11-19-13-6-2-1-3-7-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).