3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C11H19NO — CID 64664568

IUPAC3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccoc1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-10(3)6-11-4-5-13-8-11/h4-5,8-10,12H,6-7H2,1-3H3
InChIKeyMPDDINJQEZBITB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.46
Rot. Bonds5

About 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 64664568) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID64664568
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccoc1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-10(3)6-11-4-5-13-8-11/h4-5,8-10,12H,6-7H2,1-3H3
InChIKeyMPDDINJQEZBITB-UHFFFAOYSA-N
XLogP2.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
CID 64663722
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072234
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
CID 105029887
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 83178421
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
CID 83182392
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 64664568) is 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is MPDDINJQEZBITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)12-7-10(3)6-11-4-5-13-8-11/h4-5,8-10,12H,6-7H2,1-3H3.
What are the key properties of 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64664568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).