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

C12H27N3 — CID 60709756

IUPAC2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
SMILESCCC(C)(CN)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-5-12(2,10-13)15(4)11-6-8-14(3)9-7-11/h11H,5-10,13H2,1-4H3
InChIKeyBHPPLHDLOQBRKJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds4

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

2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine (PubChem CID 60709756) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
PubChem CID60709756
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
SMILESCCC(C)(CN)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-5-12(2,10-13)15(4)11-6-8-14(3)9-7-11/h11H,5-10,13H2,1-4H3
InChIKeyBHPPLHDLOQBRKJ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 113483692
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N-(4-ethylcyclohexyl)-2-N,2-dimethylpentane-1,2-diamine
CID 54948149
2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82734224
N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 167009666
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine (CID 60709756) is 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine is CCC(C)(CN)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The InChIKey is BHPPLHDLOQBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-12(2,10-13)15(4)11-6-8-14(3)9-7-11/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 60709756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).