N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide

C16H30N2O — CID 66004520

IUPACN-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-3-4-12-5-7-14(8-6-12)16(19)18-11-13-9-15(17)10-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyUIQRQTPWQSZDKL-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds6

About N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide

N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide (PubChem CID 66004520) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
PubChem CID66004520
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CC(N)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-3-4-12-5-7-14(8-6-12)16(19)18-11-13-9-15(17)10-13/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyUIQRQTPWQSZDKL-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745192

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide (CID 66004520) is N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC2CC(N)C2)CC1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide?
The InChIKey is UIQRQTPWQSZDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-12-5-7-14(8-6-12)16(19)18-11-13-9-15(17)10-13/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide?
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 66004520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).