N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine

C13H26N2 — CID 83054279

IUPACN-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCC(C)C1
InChIInChI=1S/C13H26N2/c1-3-4-13(9-14-12-5-6-12)15-8-7-11(2)10-15/h11-14H,3-10H2,1-2H3
InChIKeyBJJLHRVUITWSDN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine

N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine (PubChem CID 83054279) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
PubChem CID83054279
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCC(C)C1
InChIInChI=1S/C13H26N2/c1-3-4-13(9-14-12-5-6-12)15-8-7-11(2)10-15/h11-14H,3-10H2,1-2H3
InChIKeyBJJLHRVUITWSDN-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine (CID 83054279) is N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine is CCCC(CNC1CC1)N1CCC(C)C1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is BJJLHRVUITWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-13(9-14-12-5-6-12)15-8-7-11(2)10-15/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine?
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 83054279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).