N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine

C17H26N2 — CID 82936425

IUPACN-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine
SMILESc1cc(C(CNC2CC2)C2CCCCCC2)ccn1
InChIInChI=1S/C17H26N2/c1-2-4-6-14(5-3-1)17(13-19-16-7-8-16)15-9-11-18-12-10-15/h9-12,14,16-17,19H,1-8,13H2
InChIKeyFSNYGXAEDQATPG-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.89
Rot. Bonds5

About N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine

N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine (PubChem CID 82936425) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine
PubChem CID82936425
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine
SMILESc1cc(C(CNC2CC2)C2CCCCCC2)ccn1
InChIInChI=1S/C17H26N2/c1-2-4-6-14(5-3-1)17(13-19-16-7-8-16)15-9-11-18-12-10-15/h9-12,14,16-17,19H,1-8,13H2
InChIKeyFSNYGXAEDQATPG-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine?
The IUPAC name of N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine (CID 82936425) is N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine.
What is the SMILES notation for N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine?
The canonical SMILES for N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine is c1cc(C(CNC2CC2)C2CCCCCC2)ccn1.
What is the InChIKey of N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine?
The InChIKey is FSNYGXAEDQATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-6-14(5-3-1)17(13-19-16-7-8-16)15-9-11-18-12-10-15/h9-12,14,16-17,19H,1-8,13H2.
What are the key properties of N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine?
N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine is sourced from PubChem (CID 82936425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).