3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine

C15H29N3S — CID 79068599

IUPAC3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1csc(C)n1)NC
InChIInChI=1S/C15H29N3S/c1-7-15(5,18(8-2)9-3)14(16-6)10-13-11-19-12(4)17-13/h11,14,16H,7-10H2,1-6H3
InChIKeyJFNIEWJXXRBBIG-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.09
Rot. Bonds8

About 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine

3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine (PubChem CID 79068599) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
PubChem CID79068599
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1csc(C)n1)NC
InChIInChI=1S/C15H29N3S/c1-7-15(5,18(8-2)9-3)14(16-6)10-13-11-19-12(4)17-13/h11,14,16H,7-10H2,1-6H3
InChIKeyJFNIEWJXXRBBIG-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine with MolForge

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Related Compounds

N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol
CID 79053668
[3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105316246
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79068987
3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
CID 79068516
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352587
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
4-[2-(chloromethyl)-3,3-dimethylbutyl]-2-methyl-1,3-thiazole
CID 83141213

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine (CID 79068599) is 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine is CCN(CC)C(C)(CC)C(Cc1csc(C)n1)NC.
What is the InChIKey of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine?
The InChIKey is JFNIEWJXXRBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-15(5,18(8-2)9-3)14(16-6)10-13-11-19-12(4)17-13/h11,14,16H,7-10H2,1-6H3.
What are the key properties of 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine?
3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine has a molecular weight of 283.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine is sourced from PubChem (CID 79068599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).