N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C15H33N3 — CID 55088812

IUPACN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC(C)(C)CC)CC1
InChIInChI=1S/C15H33N3/c1-6-15(3,4)16-10-13-17(5)14-8-11-18(7-2)12-9-14/h14,16H,6-13H2,1-5H3
InChIKeyHQBAMQIFXNOIAY-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds7

About N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 55088812) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID55088812
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC(C)(C)CC)CC1
InChIInChI=1S/C15H33N3/c1-6-15(3,4)16-10-13-17(5)14-8-11-18(7-2)12-9-14/h14,16H,6-13H2,1-5H3
InChIKeyHQBAMQIFXNOIAY-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
1-N-(1-ethylpiperidin-4-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62845854
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62561588
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62555461
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62563787

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 55088812) is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCN1CCC(N(C)CCNC(C)(C)CC)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is HQBAMQIFXNOIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-15(3,4)16-10-13-17(5)14-8-11-18(7-2)12-9-14/h14,16H,6-13H2,1-5H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55088812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).