2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine

C12H27N3 — CID 83011635

IUPAC2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NN1C(C)CCCC1C
InChIInChI=1S/C12H27N3/c1-9(2)12(8-13)14-15-10(3)6-5-7-11(15)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyDQOXXAVXEGYABT-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.74
Rot. Bonds4

About 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine

2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine (PubChem CID 83011635) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine
PubChem CID83011635
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NN1C(C)CCCC1C
InChIInChI=1S/C12H27N3/c1-9(2)12(8-13)14-15-10(3)6-5-7-11(15)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyDQOXXAVXEGYABT-UHFFFAOYSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
CID 83012065
N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine
CID 83006627
2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
CID 83011142
N-(1,1-difluoropropan-2-yl)-2,6-dimethylpiperidin-1-amine
CID 102869961
N-hexan-2-yl-2,6-dimethylpiperidin-1-amine
CID 83007121
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
N-(dicyclopropylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83006231
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
4-amino-N-cyclopropyl-3-[(2,6-dimethylpiperidin-1-yl)amino]butanamide
CID 83010707
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
CID 83021986
1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011438
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine (CID 83011635) is 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine is CC(C)C(CN)NN1C(C)CCCC1C.
What is the InChIKey of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine?
The InChIKey is DQOXXAVXEGYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-9(2)12(8-13)14-15-10(3)6-5-7-11(15)4/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine?
2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 83011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).