3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine

C14H27N3S — CID 43210216

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csc(C)n1)N(C)C
InChIInChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)9-15-8-13-10-18-11(3)16-13/h10,12,14-15H,6-9H2,1-5H3
InChIKeyZENVGQQQZNNTQP-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.91
Rot. Bonds8

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

3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 43210216) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID43210216
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csc(C)n1)N(C)C
InChIInChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)9-15-8-13-10-18-11(3)16-13/h10,12,14-15H,6-9H2,1-5H3
InChIKeyZENVGQQQZNNTQP-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 60777388
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 62757749
2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
CID 107156018
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43645008
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
N-methyl-4-[(2-methylpropylamino)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63071113

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine (CID 43210216) is 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine is CCC(CC)C(CNCc1csc(C)n1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is ZENVGQQQZNNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)9-15-8-13-10-18-11(3)16-13/h10,12,14-15H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43210216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).