(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine

C11H19NO — CID 28608389

IUPAC(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
SMILESCC[C@@H](C)[C@H](C)NCc1ccco1
InChIInChI=1S/C11H19NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m1/s1
InChIKeyXQEGZTXLSXXLCF-ZJUUUORDSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds5

About (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine

(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine (PubChem CID 28608389) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
PubChem CID28608389
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
SMILESCC[C@@H](C)[C@H](C)NCc1ccco1
InChIInChI=1S/C11H19NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m1/s1
InChIKeyXQEGZTXLSXXLCF-ZJUUUORDSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine?
The IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine (CID 28608389) is (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine.
What is the SMILES notation for (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine?
The canonical SMILES for (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine is CC[C@@H](C)[C@H](C)NCc1ccco1.
What is the InChIKey of (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine?
The InChIKey is XQEGZTXLSXXLCF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine?
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine is sourced from PubChem (CID 28608389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).