N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine

C15H23N — CID 62708366

IUPACN-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-8-16-11-14-10-15(14,3)13-7-5-6-12(2)9-13/h5-7,9,14,16H,4,8,10-11H2,1-3H3
InChIKeyQIEOAJSXYRWLRS-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.27
Rot. Bonds5

About N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62708366) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID62708366
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-8-16-11-14-10-15(14,3)13-7-5-6-12(2)9-13/h5-7,9,14,16H,4,8,10-11H2,1-3H3
InChIKeyQIEOAJSXYRWLRS-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 55135134
N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
CID 114079793
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 55134746
N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine
CID 59097197
N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62707852
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
1-(3-methylphenyl)-3-propylcyclobutan-1-amine
CID 65013464
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 62714260

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine (CID 62708366) is N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1(C)c1cccc(C)c1.
What is the InChIKey of N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is QIEOAJSXYRWLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-8-16-11-14-10-15(14,3)13-7-5-6-12(2)9-13/h5-7,9,14,16H,4,8,10-11H2,1-3H3.
What are the key properties of N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62708366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).