N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

C14H25N3S — CID 62575304

IUPACN-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCCC1)Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-17(10-14-11-18-12-16-14)9-8-15-13-6-4-2-3-5-7-13/h11-13,15H,2-10H2,1H3
InChIKeyKHDHMZIKYVQNPY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.89
Rot. Bonds6

About N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62575304) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID62575304
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCCC1)Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-17(10-14-11-18-12-16-14)9-8-15-13-6-4-2-3-5-7-13/h11-13,15H,2-10H2,1H3
InChIKeyKHDHMZIKYVQNPY-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (CID 62575304) is N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is CN(CCNC1CCCCCC1)Cc1cscn1.
What is the InChIKey of N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is KHDHMZIKYVQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-17(10-14-11-18-12-16-14)9-8-15-13-6-4-2-3-5-7-13/h11-13,15H,2-10H2,1H3.
What are the key properties of N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62575304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).