N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C16H30N2O2 — CID 106297480

IUPACN-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC2(CN)CCOCC2)CCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)14(19)18-16(12-17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyHMTYPJSQBDOPFE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 106297480) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID106297480
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC2(CN)CCOCC2)CCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)14(19)18-16(12-17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyHMTYPJSQBDOPFE-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
propan-2-yl N-[4-(aminomethyl)oxan-4-yl]carbamate
CID 106297630
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114315007
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-[4-(aminomethyl)oxan-4-yl]-3-methoxy-3-methylbutanamide
CID 106297328

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 106297480) is N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NC2(CN)CCOCC2)CCCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is HMTYPJSQBDOPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)11-15(5-3-4-6-15)14(19)18-16(12-17)7-9-20-10-8-16/h13H,3-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106297480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).