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

C12H21NO — CID 81403881

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@@H](C)c1ccco1
InChIInChI=1S/C12H21NO/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyDOWQTSFFUXQHRZ-DTIOYNMSSA-N
MW195.31 g/mol
LogP3.37
Rot. Bonds6

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

N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine (PubChem CID 81403881) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
PubChem CID81403881
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@@H](C)c1ccco1
InChIInChI=1S/C12H21NO/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyDOWQTSFFUXQHRZ-DTIOYNMSSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
[1-(furan-2-yl)-3-methylhexyl]hydrazine
CID 105213549
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine (CID 81403881) is N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine is CCCC(C)CN[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine?
The InChIKey is DOWQTSFFUXQHRZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.37, 6 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]-2-methylpentan-1-amine is sourced from PubChem (CID 81403881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).