N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine

C15H30N2 — CID 63143025

IUPACN-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine
SMILESCCCC1(CNC2CCCCCC2)CCNC1
InChIInChI=1S/C15H30N2/c1-2-9-15(10-11-16-12-15)13-17-14-7-5-3-4-6-8-14/h14,16-17H,2-13H2,1H3
InChIKeyZXPDXICIVGGWJY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine

N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine (PubChem CID 63143025) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine
PubChem CID63143025
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine
SMILESCCCC1(CNC2CCCCCC2)CCNC1
InChIInChI=1S/C15H30N2/c1-2-9-15(10-11-16-12-15)13-17-14-7-5-3-4-6-8-14/h14,16-17H,2-13H2,1H3
InChIKeyZXPDXICIVGGWJY-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine (CID 63143025) is N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine is CCCC1(CNC2CCCCCC2)CCNC1.
What is the InChIKey of N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine?
The InChIKey is ZXPDXICIVGGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-9-15(10-11-16-12-15)13-17-14-7-5-3-4-6-8-14/h14,16-17H,2-13H2,1H3.
What are the key properties of N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine?
N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine has a molecular weight of 238.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine is sourced from PubChem (CID 63143025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).