N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine

C11H19NO — CID 81402655

IUPACN-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H19NO/c1-4-6-9(2)12-10(3)11-7-5-8-13-11/h5,7-10,12H,4,6H2,1-3H3/t9?,10-/m0/s1
InChIKeyFUHDODAMXCSGAQ-AXDSSHIGSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine

N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine (PubChem CID 81402655) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
PubChem CID81402655
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H19NO/c1-4-6-9(2)12-10(3)11-7-5-8-13-11/h5,7-10,12H,4,6H2,1-3H3/t9?,10-/m0/s1
InChIKeyFUHDODAMXCSGAQ-AXDSSHIGSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine (CID 81402655) is N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine is CCCC(C)N[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine?
The InChIKey is FUHDODAMXCSGAQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-9(2)12-10(3)11-7-5-8-13-11/h5,7-10,12H,4,6H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine?
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 81402655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).