N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C14H27N3S — CID 55256951

IUPACN'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNCCCC(C)C
InChIInChI=1S/C14H27N3S/c1-12(2)6-5-7-15-8-9-17(4)10-14-13(3)16-11-18-14/h11-12,15H,5-10H2,1-4H3
InChIKeyGCYKCCJCKMGURP-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.91
Rot. Bonds9

About N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 55256951) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID55256951
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNCCCC(C)C
InChIInChI=1S/C14H27N3S/c1-12(2)6-5-7-15-8-9-17(4)10-14-13(3)16-11-18-14/h11-12,15H,5-10H2,1-4H3
InChIKeyGCYKCCJCKMGURP-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63836860
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
CID 63836693
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
CID 63838967

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 55256951) is N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is Cc1ncsc1CN(C)CCNCCCC(C)C.
What is the InChIKey of N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is GCYKCCJCKMGURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-12(2)6-5-7-15-8-9-17(4)10-14-13(3)16-11-18-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55256951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).