2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine

C12H21NO — CID 83182602

IUPAC2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccoc1
InChIInChI=1S/C12H21NO/c1-4-6-12(2,10-13-3)8-11-5-7-14-9-11/h5,7,9,13H,4,6,8,10H2,1-3H3
InChIKeyJTXRRGCTJCOIDZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.85
Rot. Bonds6

About 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine

2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine (PubChem CID 83182602) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
PubChem CID83182602
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccoc1
InChIInChI=1S/C12H21NO/c1-4-6-12(2,10-13-3)8-11-5-7-14-9-11/h5,7,9,13H,4,6,8,10H2,1-3H3
InChIKeyJTXRRGCTJCOIDZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(furan-3-ylmethyl)-2-methylpentan-1-amine
CID 83182898
2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 65491899
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014491
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63509074
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine (CID 83182602) is 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)Cc1ccoc1.
What is the InChIKey of 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine?
The InChIKey is JTXRRGCTJCOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-12(2,10-13-3)8-11-5-7-14-9-11/h5,7,9,13H,4,6,8,10H2,1-3H3.
What are the key properties of 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine?
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 83182602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).