N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine

C18H31N — CID 82934165

IUPACN-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
SMILESC1CCCC(C2(CNC3CC3)CC3CCC2C3)CC1
InChIInChI=1S/C18H31N/c1-2-4-6-15(5-3-1)18(13-19-17-9-10-17)12-14-7-8-16(18)11-14/h14-17,19H,1-13H2
InChIKeySFTCFTJDFAVEGD-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.52
Rot. Bonds4

About N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine

N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine (PubChem CID 82934165) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
PubChem CID82934165
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
SMILESC1CCCC(C2(CNC3CC3)CC3CCC2C3)CC1
InChIInChI=1S/C18H31N/c1-2-4-6-15(5-3-1)18(13-19-17-9-10-17)12-14-7-8-16(18)11-14/h14-17,19H,1-13H2
InChIKeySFTCFTJDFAVEGD-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine (CID 82934165) is N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine is C1CCCC(C2(CNC3CC3)CC3CCC2C3)CC1.
What is the InChIKey of N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The InChIKey is SFTCFTJDFAVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-4-6-15(5-3-1)18(13-19-17-9-10-17)12-14-7-8-16(18)11-14/h14-17,19H,1-13H2.
What are the key properties of N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine has a molecular weight of 261.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine is sourced from PubChem (CID 82934165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).