N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine

C12H22N4S — CID 43663955

IUPACN,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2csnn2)CCCCC1
InChIInChI=1S/C12H22N4S/c1-16(2)12(6-4-3-5-7-12)10-13-8-11-9-17-15-14-11/h9,13H,3-8,10H2,1-2H3
InChIKeyZMNKTEJCHAYPRL-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.89
Rot. Bonds5

About N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 43663955) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID43663955
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2csnn2)CCCCC1
InChIInChI=1S/C12H22N4S/c1-16(2)12(6-4-3-5-7-12)10-13-8-11-9-17-15-14-11/h9,13H,3-8,10H2,1-2H3
InChIKeyZMNKTEJCHAYPRL-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine (CID 43663955) is N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine is CN(C)C1(CNCc2csnn2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is ZMNKTEJCHAYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-16(2)12(6-4-3-5-7-12)10-13-8-11-9-17-15-14-11/h9,13H,3-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(thiadiazol-4-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43663955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).