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

C14H31N3 — CID 65246884

IUPACN'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCCN1CCC(N(C)CCC(C)(C)CN)CC1
InChIInChI=1S/C14H31N3/c1-5-17-9-6-13(7-10-17)16(4)11-8-14(2,3)12-15/h13H,5-12,15H2,1-4H3
InChIKeyZROZEFGQNGGLKH-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

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

N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 65246884) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID65246884
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCCN1CCC(N(C)CCC(C)(C)CN)CC1
InChIInChI=1S/C14H31N3/c1-5-17-9-6-13(7-10-17)16(4)11-8-14(2,3)12-15/h13H,5-12,15H2,1-4H3
InChIKeyZROZEFGQNGGLKH-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088812
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834
2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
CID 55004117
1-N-(1-ethylpiperidin-4-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62845854
N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine
CID 102741076
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine (CID 65246884) is N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine is CCN1CCC(N(C)CCC(C)(C)CN)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is ZROZEFGQNGGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-17-9-6-13(7-10-17)16(4)11-8-14(2,3)12-15/h13H,5-12,15H2,1-4H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 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',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 65246884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).