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

C17H32N2O — CID 106121672

IUPACN-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC2CCC(N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)14-7-5-13(6-8-14)16(20)19-11-12-4-9-15(18)10-12/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyKHUOIOSCBOTLNI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds3

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

N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 106121672) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
PubChem CID106121672
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC2CCC(N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)14-7-5-13(6-8-14)16(20)19-11-12-4-9-15(18)10-12/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyKHUOIOSCBOTLNI-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 114313834
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106127906

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide (CID 106121672) is N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCC2CCC(N)C2)CC1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is KHUOIOSCBOTLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)14-7-5-13(6-8-14)16(20)19-11-12-4-9-15(18)10-12/h12-15H,4-11,18H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 106121672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).