(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine

C10H22N2 — CID 58598201

IUPAC(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C10H22N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9-10H,3-8,11H2,1-2H3/t10-/m1/s1
InChIKeyIXMISKMRXSRNAV-SNVBAGLBSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds3

About (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine

(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 58598201) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine
PubChem CID58598201
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C10H22N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9-10H,3-8,11H2,1-2H3/t10-/m1/s1
InChIKeyIXMISKMRXSRNAV-SNVBAGLBSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine (CID 58598201) is (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine is CN(C)C[C@@H](N)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IXMISKMRXSRNAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9-10H,3-8,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine?
(1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).