1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine

C13H19N — CID 62595536

IUPAC1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)13(4-5-13)9-14-3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyKXXGNGXXPQHIBZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine

1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 62595536) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID62595536
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)13(4-5-13)9-14-3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyKXXGNGXXPQHIBZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine (CID 62595536) is 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine is CNCC1(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is KXXGNGXXPQHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)13(4-5-13)9-14-3/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine?
1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 62595536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).