1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine

C12H21NO — CID 62717492

IUPAC1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1ccco1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-7-10(13-4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyMWTUMVOBGXVPRU-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.37
Rot. Bonds4

About 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine

1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine (PubChem CID 62717492) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine
PubChem CID62717492
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1ccco1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-7-10(13-4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyMWTUMVOBGXVPRU-UHFFFAOYSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine
CID 114212769
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
N,4,4-trimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878064

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine (CID 62717492) is 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine is CNC(CCC(C)(C)C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is MWTUMVOBGXVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-7-10(13-4)11-6-5-9-14-11/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine?
1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 62717492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).