N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

C10H23N3 — CID 115197757

IUPACN-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCNCCCNC1CCCN(C)C1
InChIInChI=1S/C10H23N3/c1-11-6-4-7-12-10-5-3-8-13(2)9-10/h10-12H,3-9H2,1-2H3
InChIKeyXRPPTFHINGCYON-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.28
Rot. Bonds5

About N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (PubChem CID 115197757) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
PubChem CID115197757
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCNCCCNC1CCCN(C)C1
InChIInChI=1S/C10H23N3/c1-11-6-4-7-12-10-5-3-8-13(2)9-10/h10-12H,3-9H2,1-2H3
InChIKeyXRPPTFHINGCYON-UHFFFAOYSA-N
XLogP0.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpiperidin-3-yl)amino]butanenitrile
CID 115231510
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine
CID 170022411
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845
1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (CID 115197757) is N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is CNCCCNC1CCCN(C)C1.
What is the InChIKey of N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The InChIKey is XRPPTFHINGCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-11-6-4-7-12-10-5-3-8-13(2)9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 115197757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).