2,2-dimethyl-1-phenylcyclopropan-1-amine

C11H15N — CID 589650

IUPAC2,2-dimethyl-1-phenylcyclopropan-1-amine
SMILESCC1(C)CC1(N)c1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-11(10,12)9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3
InChIKeyMCSHOUUMXJSRQD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.27
Rot. Bonds1

About 2,2-dimethyl-1-phenylcyclopropan-1-amine

2,2-dimethyl-1-phenylcyclopropan-1-amine (PubChem CID 589650) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenylcyclopropan-1-amine
PubChem CID589650
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,2-dimethyl-1-phenylcyclopropan-1-amine
SMILESCC1(C)CC1(N)c1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-11(10,12)9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3
InChIKeyMCSHOUUMXJSRQD-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenylcyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-phenylcyclopropan-1-amine (CID 589650) is 2,2-dimethyl-1-phenylcyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-phenylcyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-phenylcyclopropan-1-amine is CC1(C)CC1(N)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-phenylcyclopropan-1-amine?
The InChIKey is MCSHOUUMXJSRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-10(2)8-11(10,12)9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-phenylcyclopropan-1-amine?
2,2-dimethyl-1-phenylcyclopropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenylcyclopropan-1-amine is sourced from PubChem (CID 589650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).