4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine

C15H27N3S — CID 114763344

IUPAC4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)Cc2scnc2C)CC1
InChIInChI=1S/C15H27N3S/c1-4-9-16-13-5-7-14(8-6-13)18(3)10-15-12(2)17-11-19-15/h11,13-14,16H,4-10H2,1-3H3
InChIKeyAUGNMICSWQAKAP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.19
Rot. Bonds6

About 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 114763344) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID114763344
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)Cc2scnc2C)CC1
InChIInChI=1S/C15H27N3S/c1-4-9-16-13-5-7-14(8-6-13)18(3)10-15-12(2)17-11-19-15/h11,13-14,16H,4-10H2,1-3H3
InChIKeyAUGNMICSWQAKAP-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine (CID 114763344) is 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)Cc2scnc2C)CC1.
What is the InChIKey of 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is AUGNMICSWQAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-9-16-13-5-7-14(8-6-13)18(3)10-15-12(2)17-11-19-15/h11,13-14,16H,4-10H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 281.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 114763344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).