N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine

C13H19N — CID 63886935

IUPACN-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1cccc(CNC2CC2)c1
InChIInChI=1S/C13H19N/c1-10(2)12-5-3-4-11(8-12)9-14-13-6-7-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyAHSZOLAKCWRQFG-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds4

About N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine

N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine (PubChem CID 63886935) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
PubChem CID63886935
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1cccc(CNC2CC2)c1
InChIInChI=1S/C13H19N/c1-10(2)12-5-3-4-11(8-12)9-14-13-6-7-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyAHSZOLAKCWRQFG-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine (CID 63886935) is N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine is CC(C)c1cccc(CNC2CC2)c1.
What is the InChIKey of N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine?
The InChIKey is AHSZOLAKCWRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)12-5-3-4-11(8-12)9-14-13-6-7-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine?
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63886935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).