1-(2-methylpropyl)-2-phenylcyclopropan-1-amine

C13H19N — CID 84662303

IUPAC1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
SMILESCC(C)CC1(N)CC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3
InChIKeyLGXJMNAMWSFAQV-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine

1-(2-methylpropyl)-2-phenylcyclopropan-1-amine (PubChem CID 84662303) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
PubChem CID84662303
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
SMILESCC(C)CC1(N)CC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3
InChIKeyLGXJMNAMWSFAQV-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine (CID 84662303) is 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine is CC(C)CC1(N)CC1c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The InChIKey is LGXJMNAMWSFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
1-(2-methylpropyl)-2-phenylcyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 84662303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).