2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine

C14H27N3S — CID 55013958

IUPAC2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)Cc1cscn1
InChIInChI=1S/C14H27N3S/c1-3-4-5-6-7-8-14(9-15)17(2)10-13-11-18-12-16-13/h11-12,14H,3-10,15H2,1-2H3
InChIKeyXLIAXEFRANKBKP-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.26
Rot. Bonds10

About 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine

2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine (PubChem CID 55013958) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
PubChem CID55013958
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)Cc1cscn1
InChIInChI=1S/C14H27N3S/c1-3-4-5-6-7-8-14(9-15)17(2)10-13-11-18-12-16-13/h11-12,14H,3-10,15H2,1-2H3
InChIKeyXLIAXEFRANKBKP-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.26
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

2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
4-heptyl-1,3-thiazole;octane
CID 91422595
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500
1-(4-bromothiophen-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013909
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine (CID 55013958) is 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine is CCCCCCCC(CN)N(C)Cc1cscn1.
What is the InChIKey of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine?
The InChIKey is XLIAXEFRANKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-3-4-5-6-7-8-14(9-15)17(2)10-13-11-18-12-16-13/h11-12,14H,3-10,15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine?
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine is sourced from PubChem (CID 55013958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).