4-(furan-2-yl)-N,5-dimethylhexan-2-amine

C12H21NO — CID 44719969

IUPAC4-(furan-2-yl)-N,5-dimethylhexan-2-amine
SMILESCNC(C)CC(c1ccco1)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)11(8-10(3)13-4)12-6-5-7-14-12/h5-7,9-11,13H,8H2,1-4H3
InChIKeyGWCWYSCEKWLREP-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.02
Rot. Bonds5

About 4-(furan-2-yl)-N,5-dimethylhexan-2-amine

4-(furan-2-yl)-N,5-dimethylhexan-2-amine (PubChem CID 44719969) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N,5-dimethylhexan-2-amine
PubChem CID44719969
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(furan-2-yl)-N,5-dimethylhexan-2-amine
SMILESCNC(C)CC(c1ccco1)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)11(8-10(3)13-4)12-6-5-7-14-12/h5-7,9-11,13H,8H2,1-4H3
InChIKeyGWCWYSCEKWLREP-UHFFFAOYSA-N
XLogP3.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
2-(4-chloropentan-2-yl)furan
CID 64720798
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
CID 90141020
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N,5-dimethylhexan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N,5-dimethylhexan-2-amine (CID 44719969) is 4-(furan-2-yl)-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N,5-dimethylhexan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N,5-dimethylhexan-2-amine is CNC(C)CC(c1ccco1)C(C)C.
What is the InChIKey of 4-(furan-2-yl)-N,5-dimethylhexan-2-amine?
The InChIKey is GWCWYSCEKWLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)11(8-10(3)13-4)12-6-5-7-14-12/h5-7,9-11,13H,8H2,1-4H3.
What are the key properties of 4-(furan-2-yl)-N,5-dimethylhexan-2-amine?
4-(furan-2-yl)-N,5-dimethylhexan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 44719969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).