N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine

C13H19N — CID 83684635

IUPACN-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
SMILESCNC1(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-12(2,13(14-3)9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeySZBKTRFAHCBFAF-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds3

About N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine

N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine (PubChem CID 83684635) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
PubChem CID83684635
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
SMILESCNC1(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-12(2,13(14-3)9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeySZBKTRFAHCBFAF-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine?
The IUPAC name of N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine (CID 83684635) is N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine is CNC1(C(C)(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine?
The InChIKey is SZBKTRFAHCBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12(2,13(14-3)9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine?
N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 83684635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).