2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine

C13H29N3 — CID 62436874

IUPAC2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNC)N(C)C1CCN(CC)CC1
InChIInChI=1S/C13H29N3/c1-5-12(11-14-3)15(4)13-7-9-16(6-2)10-8-13/h12-14H,5-11H2,1-4H3
InChIKeyPUADVIHDIGSTCS-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

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

2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 62436874) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
PubChem CID62436874
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNC)N(C)C1CCN(CC)CC1
InChIInChI=1S/C13H29N3/c1-5-12(11-14-3)15(4)13-7-9-16(6-2)10-8-13/h12-14H,5-11H2,1-4H3
InChIKeyPUADVIHDIGSTCS-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
CID 62422780
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119841952
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-N-(1-ethylpiperidin-4-yl)-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504059
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436193
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
CID 117237155

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine (CID 62436874) is 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine is CCC(CNC)N(C)C1CCN(CC)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is PUADVIHDIGSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-12(11-14-3)15(4)13-7-9-16(6-2)10-8-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 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)-1-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62436874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).