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

C13H29N3 — CID 115136320

IUPAC1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
SMILESCN1CCCC(CCN(C)CC(C)(C)N)C1
InChIInChI=1S/C13H29N3/c1-13(2,14)11-16(4)9-7-12-6-5-8-15(3)10-12/h12H,5-11,14H2,1-4H3
InChIKeyQYHMAQKIQSSYKF-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

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

1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine (PubChem CID 115136320) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
PubChem CID115136320
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
SMILESCN1CCCC(CCN(C)CC(C)(C)N)C1
InChIInChI=1S/C13H29N3/c1-13(2,14)11-16(4)9-7-12-6-5-8-15(3)10-12/h12H,5-11,14H2,1-4H3
InChIKeyQYHMAQKIQSSYKF-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
3-methyl-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]butan-1-ol
CID 115134356
N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 142067707
1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200914
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115244956
4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
CID 115205476
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine (CID 115136320) is 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine is CN1CCCC(CCN(C)CC(C)(C)N)C1.
What is the InChIKey of 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
The InChIKey is QYHMAQKIQSSYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,14)11-16(4)9-7-12-6-5-8-15(3)10-12/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine?
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115136320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).