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

C10H23N3 — CID 116933024

IUPACN'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCNCCC(N)C1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-12-6-3-10(11)9-4-7-13(2)8-5-9/h9-10,12H,3-8,11H2,1-2H3
InChIKeyALGCUIAYCCKEOL-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.26
Rot. Bonds4

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

N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 116933024) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID116933024
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCNCCC(N)C1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-12-6-3-10(11)9-4-7-13(2)8-5-9/h9-10,12H,3-8,11H2,1-2H3
InChIKeyALGCUIAYCCKEOL-UHFFFAOYSA-N
XLogP0.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935127
N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945942
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
1-cyclopropyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103497340
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 116933024) is N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine is CNCCC(N)C1CCN(C)CC1.
What is the InChIKey of N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is ALGCUIAYCCKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-12-6-3-10(11)9-4-7-13(2)8-5-9/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 116933024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).