3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine

C14H31N3 — CID 62545786

IUPAC3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCCC(C)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-12(2)15-9-8-13(3)17(5)14-7-6-10-16(4)11-14/h12-15H,6-11H2,1-5H3
InChIKeyASKWGKRQFMOFHR-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine

3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 62545786) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID62545786
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCCC(C)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-12(2)15-9-8-13(3)17(5)14-7-6-10-16(4)11-14/h12-15H,6-11H2,1-5H3
InChIKeyASKWGKRQFMOFHR-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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-3-yl)-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine (CID 62545786) is 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine is CC(C)NCCC(C)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is ASKWGKRQFMOFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)15-9-8-13(3)17(5)14-7-6-10-16(4)11-14/h12-15H,6-11H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 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-3-yl)-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 62545786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).