2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide

C12H20N2O2 — CID 81399560

IUPAC2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyWXUIYGIYHUKNBT-RGURZIINSA-N
MW224.30 g/mol
LogP1.83
Rot. Bonds6

About 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide

2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide (PubChem CID 81399560) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
PubChem CID81399560
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyWXUIYGIYHUKNBT-RGURZIINSA-N
XLogP1.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide (CID 81399560) is 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide is CCCC(CN)C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide?
The InChIKey is WXUIYGIYHUKNBT-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide?
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide is sourced from PubChem (CID 81399560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).