2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine

C14H31N3 — CID 55004117

IUPAC2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)(CN)C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-6-17-9-7-13(8-10-17)16(5)14(4,11-15)12(2)3/h12-13H,6-11,15H2,1-5H3
InChIKeyCUHWQARQIGLTOC-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds5

About 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine (PubChem CID 55004117) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
PubChem CID55004117
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)(CN)C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-6-17-9-7-13(8-10-17)16(5)14(4,11-15)12(2)3/h12-13H,6-11,15H2,1-5H3
InChIKeyCUHWQARQIGLTOC-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 113481753
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
3-N-(1-ethylpiperidin-4-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 55004402

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine (CID 55004117) is 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine is CCN1CCC(N(C)C(C)(CN)C(C)C)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine?
The InChIKey is CUHWQARQIGLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-17-9-7-13(8-10-17)16(5)14(4,11-15)12(2)3/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 55004117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).