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

C11H25N3 — CID 115203024

IUPAC2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCC(CN)CCNC1CCCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(8-12)5-6-13-11-4-3-7-14(2)9-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUJPUHKYPSIOPKG-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine

2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine (PubChem CID 115203024) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
PubChem CID115203024
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCC(CN)CCNC1CCCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(8-12)5-6-13-11-4-3-7-14(2)9-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUJPUHKYPSIOPKG-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
4-[(1-methylpiperidin-3-yl)amino]butanenitrile
CID 115231510
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine (CID 115203024) is 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine is CC(CN)CCNC1CCCN(C)C1.
What is the InChIKey of 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The InChIKey is UJPUHKYPSIOPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(8-12)5-6-13-11-4-3-7-14(2)9-11/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine?
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115203024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).