2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine

C14H23NO — CID 83183414

IUPAC2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1ccoc1)C1CC1
InChIInChI=1S/C14H23NO/c1-3-7-15-11-14(2,13-4-5-13)9-12-6-8-16-10-12/h6,8,10,13,15H,3-5,7,9,11H2,1-2H3
InChIKeyAYFGYJMVWSIMPX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.24
Rot. Bonds7

About 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine

2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 83183414) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID83183414
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1ccoc1)C1CC1
InChIInChI=1S/C14H23NO/c1-3-7-15-11-14(2,13-4-5-13)9-12-6-8-16-10-12/h6,8,10,13,15H,3-5,7,9,11H2,1-2H3
InChIKeyAYFGYJMVWSIMPX-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83159779
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
CID 83159330
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
CID 83159864
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine (CID 83183414) is 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1ccoc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is AYFGYJMVWSIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-15-11-14(2,13-4-5-13)9-12-6-8-16-10-12/h6,8,10,13,15H,3-5,7,9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine?
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83183414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).