3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine

C17H31N3 — CID 62622811

IUPAC3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
SMILESCCNC(CCN(C)CCc1ccccn1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-6-18-16(17(2,3)4)11-14-20(5)13-10-15-9-7-8-12-19-15/h7-9,12,16,18H,6,10-11,13-14H2,1-5H3
InChIKeyUPMOWIYQWHZEMC-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.97
Rot. Bonds8

About 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine

3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine (PubChem CID 62622811) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
PubChem CID62622811
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
SMILESCCNC(CCN(C)CCc1ccccn1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-6-18-16(17(2,3)4)11-14-20(5)13-10-15-9-7-8-12-19-15/h7-9,12,16,18H,6,10-11,13-14H2,1-5H3
InChIKeyUPMOWIYQWHZEMC-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
CID 62623524
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
CID 63027499
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
CID 79056915
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine (CID 62622811) is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine is CCNC(CCN(C)CCc1ccccn1)C(C)(C)C.
What is the InChIKey of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine?
The InChIKey is UPMOWIYQWHZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-18-16(17(2,3)4)11-14-20(5)13-10-15-9-7-8-12-19-15/h7-9,12,16,18H,6,10-11,13-14H2,1-5H3.
What are the key properties of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine?
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine is sourced from PubChem (CID 62622811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).