2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine

C16H23N — CID 113252305

IUPAC2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1ccccc1C1CC1)C1CC1
InChIInChI=1S/C16H23N/c1-16(2,14-9-10-14)17-11-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyVJYIBIZZZQVRBI-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds5

About 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine (PubChem CID 113252305) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
PubChem CID113252305
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1ccccc1C1CC1)C1CC1
InChIInChI=1S/C16H23N/c1-16(2,14-9-10-14)17-11-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyVJYIBIZZZQVRBI-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine (CID 113252305) is 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine is CC(C)(NCc1ccccc1C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine?
The InChIKey is VJYIBIZZZQVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-16(2,14-9-10-14)17-11-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 113252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).