N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine

C16H31N3 — CID 62997411

IUPACN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
SMILESCNC1CCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3/c1-17-15-5-4-6-16(15)19-11-7-14(8-12-19)13-18-9-2-3-10-18/h14-17H,2-13H2,1H3
InChIKeyPFKBWBORWPJKEA-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine (PubChem CID 62997411) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
PubChem CID62997411
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
SMILESCNC1CCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3/c1-17-15-5-4-6-16(15)19-11-7-14(8-12-19)13-18-9-2-3-10-18/h14-17H,2-13H2,1H3
InChIKeyPFKBWBORWPJKEA-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine (CID 62997411) is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine is CNC1CCCC1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine?
The InChIKey is PFKBWBORWPJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-17-15-5-4-6-16(15)19-11-7-14(8-12-19)13-18-9-2-3-10-18/h14-17H,2-13H2,1H3.
What are the key properties of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine?
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 62997411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).