N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine

C18H27N — CID 81026613

IUPACN-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCc1ccccc1C1CCCCCC1CNC1CC1
InChIInChI=1S/C18H27N/c1-14-7-5-6-9-17(14)18-10-4-2-3-8-15(18)13-19-16-11-12-16/h5-7,9,15-16,18-19H,2-4,8,10-13H2,1H3
InChIKeyUMYVTHZRCBLEOS-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds4

About N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81026613) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81026613
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCc1ccccc1C1CCCCCC1CNC1CC1
InChIInChI=1S/C18H27N/c1-14-7-5-6-9-17(14)18-10-4-2-3-8-15(18)13-19-16-11-12-16/h5-7,9,15-16,18-19H,2-4,8,10-13H2,1H3
InChIKeyUMYVTHZRCBLEOS-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032761
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
CID 97356100
N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]cyclopropanamine
CID 115375676

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine (CID 81026613) is N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine is Cc1ccccc1C1CCCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is UMYVTHZRCBLEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-7-5-6-9-17(14)18-10-4-2-3-8-15(18)13-19-16-11-12-16/h5-7,9,15-16,18-19H,2-4,8,10-13H2,1H3.
What are the key properties of N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).