3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine

C15H29N3S — CID 79824834

IUPAC3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCCNC(Cc1nccs1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H29N3S/c1-6-9-16-13(12-14-17-10-11-19-14)15(7-2,8-3)18(4)5/h10-11,13,16H,6-9,12H2,1-5H3
InChIKeyZWDGWBHFCMAACY-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.17
Rot. Bonds9

About 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine

3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (PubChem CID 79824834) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
PubChem CID79824834
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCCNC(Cc1nccs1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H29N3S/c1-6-9-16-13(12-14-17-10-11-19-14)15(7-2,8-3)18(4)5/h10-11,13,16H,6-9,12H2,1-5H3
InChIKeyZWDGWBHFCMAACY-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79825166
3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824612
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (CID 79824834) is 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is CCCNC(Cc1nccs1)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The InChIKey is ZWDGWBHFCMAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-9-16-13(12-14-17-10-11-19-14)15(7-2,8-3)18(4)5/h10-11,13,16H,6-9,12H2,1-5H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine has a molecular weight of 283.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 79824834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).