N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide

C15H28N2O3 — CID 119605197

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)NC1CCCC1CN
InChIInChI=1S/C15H28N2O3/c1-11(20-10-13-6-2-3-8-19-13)15(18)17-14-7-4-5-12(14)9-16/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyKSHXKTVGWNEHLP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide

N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide (PubChem CID 119605197) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
PubChem CID119605197
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)NC1CCCC1CN
InChIInChI=1S/C15H28N2O3/c1-11(20-10-13-6-2-3-8-19-13)15(18)17-14-7-4-5-12(14)9-16/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyKSHXKTVGWNEHLP-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 119609391
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
N-[2-(aminomethyl)cyclopentyl]-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260999
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide (CID 119605197) is N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide is CC(OCC1CCCCO1)C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide?
The InChIKey is KSHXKTVGWNEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(20-10-13-6-2-3-8-19-13)15(18)17-14-7-4-5-12(14)9-16/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide?
N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide has a molecular weight of 284.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 119605197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).