2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine

C15H33N3 — CID 62569013

IUPAC2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)16-11-13(3)18(5)15-9-8-10-17(4)12-15/h13-16H,6-12H2,1-5H3
InChIKeyQSXGBWNPDQISLJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds7

About 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine

2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 62569013) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID62569013
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)16-11-13(3)18(5)15-9-8-10-17(4)12-15/h13-16H,6-12H2,1-5H3
InChIKeyQSXGBWNPDQISLJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62546657
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62545786
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 55087459
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568442
N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
CID 76946405
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
(3R)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 129222465
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine (CID 62569013) is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is QSXGBWNPDQISLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-14(7-2)16-11-13(3)18(5)15-9-8-10-17(4)12-15/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 62569013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).