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

C14H27N3S — CID 80557362

IUPAC2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)Cc1csc(C)n1
InChIInChI=1S/C14H27N3S/c1-5-6-7-8-14(3,11-15)17(4)9-13-10-18-12(2)16-13/h10H,5-9,11,15H2,1-4H3
InChIKeyQSJCJEYABSKIOH-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.18
Rot. Bonds8

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

2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine (PubChem CID 80557362) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine
PubChem CID80557362
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)Cc1csc(C)n1
InChIInChI=1S/C14H27N3S/c1-5-6-7-8-14(3,11-15)17(4)9-13-10-18-12(2)16-13/h10H,5-9,11,15H2,1-4H3
InChIKeyQSJCJEYABSKIOH-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 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 ≤ 53.18
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

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N-[(2-bromophenyl)methyl]-2-N,2-dimethylheptane-1,2-diamine
CID 80558338
2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 63844168
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-carbamothioyl-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 113270600
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine (CID 80557362) is 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine is CCCCCC(C)(CN)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine?
The InChIKey is QSJCJEYABSKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-5-6-7-8-14(3,11-15)17(4)9-13-10-18-12(2)16-13/h10H,5-9,11,15H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine?
2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine is sourced from PubChem (CID 80557362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).