N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine

C12H21NO — CID 115719150

IUPACN-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NC(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C12H21NO/c1-9(11-7-6-8-14-11)13-10(2)12(3,4)5/h6-10,13H,1-5H3
InChIKeyBWTXMFUARMJSGI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.36
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine

N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine (PubChem CID 115719150) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
PubChem CID115719150
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NC(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C12H21NO/c1-9(11-7-6-8-14-11)13-10(2)12(3,4)5/h6-10,13H,1-5H3
InChIKeyBWTXMFUARMJSGI-UHFFFAOYSA-N
XLogP3.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77029406
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(S)-N-[(1R)-1-(furan-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 71288215

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine (CID 115719150) is N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine is CC(NC(C)C(C)(C)C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
The InChIKey is BWTXMFUARMJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(11-7-6-8-14-11)13-10(2)12(3,4)5/h6-10,13H,1-5H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine?
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115719150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).