3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine

C9H22N4 — CID 115119475

IUPAC3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
SMILESCN1CCCC(NCC(N)CN)C1
InChIInChI=1S/C9H22N4/c1-13-4-2-3-9(7-13)12-6-8(11)5-10/h8-9,12H,2-7,10-11H2,1H3
InChIKeyASCWWLCPMLFGIY-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.04
Rot. Bonds4

About 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine

3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine (PubChem CID 115119475) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
PubChem CID115119475
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
SMILESCN1CCCC(NCC(N)CN)C1
InChIInChI=1S/C9H22N4/c1-13-4-2-3-9(7-13)12-6-8(11)5-10/h8-9,12H,2-7,10-11H2,1H3
InChIKeyASCWWLCPMLFGIY-UHFFFAOYSA-N
XLogP-1.04
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115204269
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine?
The IUPAC name of 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine (CID 115119475) is 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine is CN1CCCC(NCC(N)CN)C1.
What is the InChIKey of 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine?
The InChIKey is ASCWWLCPMLFGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-13-4-2-3-9(7-13)12-6-8(11)5-10/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine?
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine has a molecular weight of 186.30 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine is sourced from PubChem (CID 115119475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).