N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine

C12H21NO — CID 63561552

IUPACN-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
SMILESCCNC(CC)C(C)Cc1ccco1
InChIInChI=1S/C12H21NO/c1-4-12(13-5-2)10(3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyHCYNKUYJFMIZBX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine

N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine (PubChem CID 63561552) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
PubChem CID63561552
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
SMILESCCNC(CC)C(C)Cc1ccco1
InChIInChI=1S/C12H21NO/c1-4-12(13-5-2)10(3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3
InChIKeyHCYNKUYJFMIZBX-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-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
2-(2-ethylbutyl)furan
CID 68844643
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
CID 105029464
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine (CID 63561552) is N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine is CCNC(CC)C(C)Cc1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine?
The InChIKey is HCYNKUYJFMIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(13-5-2)10(3)9-11-7-6-8-14-11/h6-8,10,12-13H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine?
N-ethyl-1-(furan-2-yl)-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-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine is sourced from PubChem (CID 63561552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).