3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine

C15H31N3 — CID 79642701

IUPAC3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-4-9-16-13-5-6-15(12-13)18(3)14-7-10-17(2)11-8-14/h13-16H,4-12H2,1-3H3
InChIKeyXZEGLLSZFOWZFH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds5

About 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine

3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine (PubChem CID 79642701) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
PubChem CID79642701
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-4-9-16-13-5-6-15(12-13)18(3)14-7-10-17(2)11-8-14/h13-16H,4-12H2,1-3H3
InChIKeyXZEGLLSZFOWZFH-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine (CID 79642701) is 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine is CCCNC1CCC(N(C)C2CCN(C)CC2)C1.
What is the InChIKey of 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine?
The InChIKey is XZEGLLSZFOWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-9-16-13-5-6-15(12-13)18(3)14-7-10-17(2)11-8-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine?
3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine is sourced from PubChem (CID 79642701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).