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

C16H29N3S — CID 126804159

IUPACN'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN(CCN(C)C)CC2CCCCC2)s1
InChIInChI=1S/C16H29N3S/c1-14-17-11-16(20-14)13-19(10-9-18(2)3)12-15-7-5-4-6-8-15/h11,15H,4-10,12-13H2,1-3H3
InChIKeyLYTCOIBCXYYJBJ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds7

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

N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 126804159) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID126804159
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncc(CN(CCN(C)C)CC2CCCCC2)s1
InChIInChI=1S/C16H29N3S/c1-14-17-11-16(20-14)13-19(10-9-18(2)3)12-15-7-5-4-6-8-15/h11,15H,4-10,12-13H2,1-3H3
InChIKeyLYTCOIBCXYYJBJ-UHFFFAOYSA-N
XLogP3.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 126804159) is N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is Cc1ncc(CN(CCN(C)C)CC2CCCCC2)s1.
What is the InChIKey of N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is LYTCOIBCXYYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-14-17-11-16(20-14)13-19(10-9-18(2)3)12-15-7-5-4-6-8-15/h11,15H,4-10,12-13H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 126804159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).