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

C15H33N3 — CID 79667623

IUPACN'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCC1CCCCN1C)CC(C)(C)CN
InChIInChI=1S/C15H33N3/c1-5-18(13-15(2,3)12-16)11-9-14-8-6-7-10-17(14)4/h14H,5-13,16H2,1-4H3
InChIKeyMLUXXXVXQKKKSA-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds7

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

N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine (PubChem CID 79667623) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
PubChem CID79667623
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCC1CCCCN1C)CC(C)(C)CN
InChIInChI=1S/C15H33N3/c1-5-18(13-15(2,3)12-16)11-9-14-8-6-7-10-17(14)4/h14H,5-13,16H2,1-4H3
InChIKeyMLUXXXVXQKKKSA-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-N-[2-(1-methylpiperidin-2-yl)ethyl]-2-N-propylpropane-1,2-diamine
CID 107911289
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
2-[2-(1-methylpiperidin-2-yl)ethyl-propylamino]acetonitrile
CID 103766528
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
N'-cyclopropyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
CID 107911214
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
CID 114015262
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine (CID 79667623) is N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine is CCN(CCC1CCCCN1C)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is MLUXXXVXQKKKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-18(13-15(2,3)12-16)11-9-14-8-6-7-10-17(14)4/h14H,5-13,16H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79667623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).