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

C20H31N — CID 82933526

IUPACN-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)C2CCCCCC2)c1
InChIInChI=1S/C20H31N/c1-16-7-6-8-17(13-16)14-19(15-21-20-11-12-20)18-9-4-2-3-5-10-18/h6-8,13,18-21H,2-5,9-12,14-15H2,1H3
InChIKeyXPMNKTGIJLXMHQ-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.88
Rot. Bonds6

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

N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 82933526) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID82933526
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)C2CCCCCC2)c1
InChIInChI=1S/C20H31N/c1-16-7-6-8-17(13-16)14-19(15-21-20-11-12-20)18-9-4-2-3-5-10-18/h6-8,13,18-21H,2-5,9-12,14-15H2,1H3
InChIKeyXPMNKTGIJLXMHQ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-cyclohexyl-N-methyl-3-phenylpropan-1-amine
CID 82931379
N-[2-[(3-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 116617646
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195

Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine (CID 82933526) is N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(CC(CNC2CC2)C2CCCCCC2)c1.
What is the InChIKey of N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is XPMNKTGIJLXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16-7-6-8-17(13-16)14-19(15-21-20-11-12-20)18-9-4-2-3-5-10-18/h6-8,13,18-21H,2-5,9-12,14-15H2,1H3.
What are the key properties of N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine?
N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 285.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 82933526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).