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

C12H27N3 — CID 115204269

IUPAC2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCN1CCCC(NCC(C)(C)CCN)C1
InChIInChI=1S/C12H27N3/c1-12(2,6-7-13)10-14-11-5-4-8-15(3)9-11/h11,14H,4-10,13H2,1-3H3
InChIKeyFEPBSSKWNROFOA-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.05
Rot. Bonds5

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

2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine (PubChem CID 115204269) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
PubChem CID115204269
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCN1CCCC(NCC(C)(C)CCN)C1
InChIInChI=1S/C12H27N3/c1-12(2,6-7-13)10-14-11-5-4-8-15(3)9-11/h11,14H,4-10,13H2,1-3H3
InChIKeyFEPBSSKWNROFOA-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine (CID 115204269) is 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine is CN1CCCC(NCC(C)(C)CCN)C1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The InChIKey is FEPBSSKWNROFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,6-7-13)10-14-11-5-4-8-15(3)9-11/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine?
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115204269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).