N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine

C18H27N — CID 81025221

IUPACN-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCc1cccc(C2CCCCCC2CNC2CC2)c1
InChIInChI=1S/C18H27N/c1-14-6-5-8-15(12-14)18-9-4-2-3-7-16(18)13-19-17-10-11-17/h5-6,8,12,16-19H,2-4,7,9-11,13H2,1H3
InChIKeyWXOJEZVZBSRRGA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds4

About N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025221) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81025221
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCc1cccc(C2CCCCCC2CNC2CC2)c1
InChIInChI=1S/C18H27N/c1-14-6-5-8-15(12-14)18-9-4-2-3-7-16(18)13-19-17-10-11-17/h5-6,8,12,16-19H,2-4,7,9-11,13H2,1H3
InChIKeyWXOJEZVZBSRRGA-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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine (CID 81025221) is N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine is Cc1cccc(C2CCCCCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is WXOJEZVZBSRRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-6-5-8-15(12-14)18-9-4-2-3-7-16(18)13-19-17-10-11-17/h5-6,8,12,16-19H,2-4,7,9-11,13H2,1H3.
What are the key properties of N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(3-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-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).