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

C14H27N3S — CID 63838282

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

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

N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (PubChem CID 63838282) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
PubChem CID63838282
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
SMILESCc1ncsc1CN(C)CCCCNCC(C)C
InChIInChI=1S/C14H27N3S/c1-12(2)9-15-7-5-6-8-17(4)10-14-13(3)16-11-18-14/h11-12,15H,5-10H2,1-4H3
InChIKeyYPRREMXJKMYOGN-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-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55256951
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
CID 63836693
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
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'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837746
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (CID 63838282) is N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is Cc1ncsc1CN(C)CCCCNCC(C)C.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The InChIKey is YPRREMXJKMYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-12(2)9-15-7-5-6-8-17(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-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-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-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 63838282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).