N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide

C15H28N2O2 — CID 115365479

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
SMILESNCC1(CNC(=O)CCC2CCCCO2)CCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-2-3-9-15)12-17-14(18)7-6-13-5-1-4-10-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyRIMXQYSGSXMCPH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide (PubChem CID 115365479) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
PubChem CID115365479
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
SMILESNCC1(CNC(=O)CCC2CCCCO2)CCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-2-3-9-15)12-17-14(18)7-6-13-5-1-4-10-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyRIMXQYSGSXMCPH-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113295133
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 120887184
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide (CID 115365479) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide is NCC1(CNC(=O)CCC2CCCCO2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is RIMXQYSGSXMCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-11-15(8-2-3-9-15)12-17-14(18)7-6-13-5-1-4-10-19-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 115365479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).