[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine

C15H21N — CID 178195061

IUPAC[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)13(9-16)14(15)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3/t13-,14-/m1/s1
InChIKeyUKLDECBJYQYYBN-ZIAGYGMSSA-N
MW215.34 g/mol
LogP3.26
Rot. Bonds3

About [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178195061) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178195061
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)13(9-16)14(15)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3/t13-,14-/m1/s1
InChIKeyUKLDECBJYQYYBN-ZIAGYGMSSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 178195061) is [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1cccc(C2CC2)c1.
What is the InChIKey of [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is UKLDECBJYQYYBN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2)13(9-16)14(15)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(3-cyclopropylphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178195061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).