1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine

C13H29N3O2S — CID 62009417

IUPAC1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)15(4)19(17,18)16(5)13(10-14)8-6-7-12(3)9-13/h11-12H,6-10,14H2,1-5H3
InChIKeyAVENHQRHTSUDKV-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.41
Rot. Bonds5

About 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine (PubChem CID 62009417) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
PubChem CID62009417
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)15(4)19(17,18)16(5)13(10-14)8-6-7-12(3)9-13/h11-12H,6-10,14H2,1-5H3
InChIKeyAVENHQRHTSUDKV-UHFFFAOYSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246691
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709315
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methyl-N-propylbutane-1-sulfonamide
CID 63832978
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine (CID 62009417) is 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine is CC1CCCC(CN)(N(C)S(=O)(=O)N(C)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine?
The InChIKey is AVENHQRHTSUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(2)15(4)19(17,18)16(5)13(10-14)8-6-7-12(3)9-13/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine is sourced from PubChem (CID 62009417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).