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

C13H25N3S — CID 81012833

IUPAC1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H25N3S/c1-6-14-7-10(2)11(3)16(5)8-13-9-17-12(4)15-13/h9-11,14H,6-8H2,1-5H3
InChIKeyQJSPBIRQULBSFF-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.52
Rot. Bonds7

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

1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine (PubChem CID 81012833) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
PubChem CID81012833
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H25N3S/c1-6-14-7-10(2)11(3)16(5)8-13-9-17-12(4)15-13/h9-11,14H,6-8H2,1-5H3
InChIKeyQJSPBIRQULBSFF-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81015805
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55073872
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046
2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 80998760
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
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 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine (CID 81012833) is 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine is CCNCC(C)C(C)N(C)Cc1csc(C)n1.
What is the InChIKey of 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine?
The InChIKey is QJSPBIRQULBSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-14-7-10(2)11(3)16(5)8-13-9-17-12(4)15-13/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine?
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 81012833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).