1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine

C13H29N3 — CID 115132980

IUPAC1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-13(2,11-14-3)15-8-7-12-6-5-9-16(4)10-12/h12,14-15H,5-11H2,1-4H3
InChIKeyOWCSHALJPMWHMP-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.31
Rot. Bonds6

About 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine

1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine (PubChem CID 115132980) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
PubChem CID115132980
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)NCCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-13(2,11-14-3)15-8-7-12-6-5-9-16(4)10-12/h12,14-15H,5-11H2,1-4H3
InChIKeyOWCSHALJPMWHMP-UHFFFAOYSA-N
XLogP1.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-cyclopentylethyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132973
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
N-[2,2-dimethyl-3-(methylamino)propyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115271200
3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
CID 115134988
3,3-dimethyl-4-[2-(1-methylpiperidin-3-yl)ethylamino]butanoic acid
CID 115220443
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
CID 115205476
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 95207648

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine (CID 115132980) is 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine is CNCC(C)(C)NCCC1CCCN(C)C1.
What is the InChIKey of 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The InChIKey is OWCSHALJPMWHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,11-14-3)15-8-7-12-6-5-9-16(4)10-12/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115132980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).