N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine

C12H21NO — CID 43776470

IUPACN-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NCCc1ccco1)C(C)C
InChIInChI=1S/C12H21NO/c1-4-12(10(2)3)13-8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,4,7-8H2,1-3H3
InChIKeyDJDWIFAKBBGTHV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine

N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine (PubChem CID 43776470) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
PubChem CID43776470
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NCCc1ccco1)C(C)C
InChIInChI=1S/C12H21NO/c1-4-12(10(2)3)13-8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,4,7-8H2,1-3H3
InChIKeyDJDWIFAKBBGTHV-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

1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515385
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515376
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
CID 115706553
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine (CID 43776470) is N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine is CCC(NCCc1ccco1)C(C)C.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine?
The InChIKey is DJDWIFAKBBGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(10(2)3)13-8-7-11-6-5-9-14-11/h5-6,9-10,12-13H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine?
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-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 N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).