2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine

C12H27N3 — CID 80553591

IUPAC2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCCNC1
InChIInChI=1S/C12H27N3/c1-12(2,15(3)4)10-14-9-11-6-5-7-13-8-11/h11,13-14H,5-10H2,1-4H3
InChIKeyYKKJUJPRLMNSEF-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.92
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine (PubChem CID 80553591) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
PubChem CID80553591
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCCNC1
InChIInChI=1S/C12H27N3/c1-12(2,15(3)4)10-14-9-11-6-5-7-13-8-11/h11,13-14H,5-10H2,1-4H3
InChIKeyYKKJUJPRLMNSEF-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
2-methyl-2-(1-methylpyrrolidin-3-yl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209785
4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
CID 107151382
1-N,1-N-dimethyl-2-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 82938373
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
3-(2,2-dimethylpropyl)piperidine
CID 21041533
methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid
CID 175085414
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine (CID 80553591) is 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine is CN(C)C(C)(C)CNCC1CCCNC1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is YKKJUJPRLMNSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,15(3)4)10-14-9-11-6-5-7-13-8-11/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 80553591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).