1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine

C14H27N3S — CID 65296187

IUPAC1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
SMILESCc1nc(CN(C)CC(C)CCCC(C)N)cs1
InChIInChI=1S/C14H27N3S/c1-11(6-5-7-12(2)15)8-17(4)9-14-10-18-13(3)16-14/h10-12H,5-9,15H2,1-4H3
InChIKeyWVLPLUUHMJOOKY-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.04
Rot. Bonds8

About 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine

1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine (PubChem CID 65296187) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
PubChem CID65296187
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
SMILESCc1nc(CN(C)CC(C)CCCC(C)N)cs1
InChIInChI=1S/C14H27N3S/c1-11(6-5-7-12(2)15)8-17(4)9-14-10-18-13(3)16-14/h10-12H,5-9,15H2,1-4H3
InChIKeyWVLPLUUHMJOOKY-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 62476800
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421129
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
1-N,5,5-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]hexane-1,3-diamine
CID 113497174
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-N,2-dimethyl-1-N-(2-methylbutyl)heptane-1,6-diamine
CID 65296431

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine (CID 65296187) is 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine is Cc1nc(CN(C)CC(C)CCCC(C)N)cs1.
What is the InChIKey of 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine?
The InChIKey is WVLPLUUHMJOOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(6-5-7-12(2)15)8-17(4)9-14-10-18-13(3)16-14/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine?
1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine has a molecular weight of 269.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine is sourced from PubChem (CID 65296187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).