N-(furan-3-ylmethyl)-5-methylhexan-2-amine

C12H21NO — CID 62997685

IUPACN-(furan-3-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccoc1
InChIInChI=1S/C12H21NO/c1-10(2)4-5-11(3)13-8-12-6-7-14-9-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyBPHSJPNRBPLVPX-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.19
Rot. Bonds6

About N-(furan-3-ylmethyl)-5-methylhexan-2-amine

N-(furan-3-ylmethyl)-5-methylhexan-2-amine (PubChem CID 62997685) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-5-methylhexan-2-amine
PubChem CID62997685
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(furan-3-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccoc1
InChIInChI=1S/C12H21NO/c1-10(2)4-5-11(3)13-8-12-6-7-14-9-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyBPHSJPNRBPLVPX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
CID 115711461
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
CID 65479220
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-5-methylhexan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-5-methylhexan-2-amine (CID 62997685) is N-(furan-3-ylmethyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-5-methylhexan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-5-methylhexan-2-amine is CC(C)CCC(C)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-5-methylhexan-2-amine?
The InChIKey is BPHSJPNRBPLVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)4-5-11(3)13-8-12-6-7-14-9-12/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-5-methylhexan-2-amine?
N-(furan-3-ylmethyl)-5-methylhexan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-5-methylhexan-2-amine is sourced from PubChem (CID 62997685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).