N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

C16H25N — CID 62903683

IUPACN-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C2(CNC(C)(C)C)CC2)cc1C
InChIInChI=1S/C16H25N/c1-12-6-7-14(10-13(12)2)16(8-9-16)11-17-15(3,4)5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyDOQPLXZDZKPJRR-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.72
Rot. Bonds3

About N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62903683) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62903683
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C2(CNC(C)(C)C)CC2)cc1C
InChIInChI=1S/C16H25N/c1-12-6-7-14(10-13(12)2)16(8-9-16)11-17-15(3,4)5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyDOQPLXZDZKPJRR-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 62903683) is N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is Cc1ccc(C2(CNC(C)(C)C)CC2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DOQPLXZDZKPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-6-7-14(10-13(12)2)16(8-9-16)11-17-15(3,4)5/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62903683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).