N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine

C16H31N3 — CID 63167031

IUPACN-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3/c1-13(2)16(11-17-14-5-6-14)19-10-7-15(12-19)18-8-3-4-9-18/h13-17H,3-12H2,1-2H3
InChIKeyKITDMVPZZNQZBE-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds6

About N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine

N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine (PubChem CID 63167031) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
PubChem CID63167031
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3/c1-13(2)16(11-17-14-5-6-14)19-10-7-15(12-19)18-8-3-4-9-18/h13-17H,3-12H2,1-2H3
InChIKeyKITDMVPZZNQZBE-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine (CID 63167031) is N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine is CC(C)C(CNC1CC1)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine?
The InChIKey is KITDMVPZZNQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)16(11-17-14-5-6-14)19-10-7-15(12-19)18-8-3-4-9-18/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine?
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 63167031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).