2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine

C14H25NO — CID 62998125

IUPAC2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccco1
InChIInChI=1S/C14H25NO/c1-11(2)8-13(10-15-12(3)4)9-14-6-5-7-16-14/h5-7,11-13,15H,8-10H2,1-4H3
InChIKeyYPNOURVGKALODE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.48
Rot. Bonds7

About 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine

2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 62998125) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID62998125
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccco1
InChIInChI=1S/C14H25NO/c1-11(2)8-13(10-15-12(3)4)9-14-6-5-7-16-14/h5-7,11-13,15H,8-10H2,1-4H3
InChIKeyYPNOURVGKALODE-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
2-(2-ethylbutyl)furan
CID 68844643
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
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-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine (CID 62998125) is 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CC(CNC(C)C)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is YPNOURVGKALODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)8-13(10-15-12(3)4)9-14-6-5-7-16-14/h5-7,11-13,15H,8-10H2,1-4H3.
What are the key properties of 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine?
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62998125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).