2-cyclohexyl-1-N'-methylethane-1,1-diamine

C9H20N2 — CID 139541919

IUPAC2-cyclohexyl-1-N'-methylethane-1,1-diamine
SMILESCNC(N)CC1CCCCC1
InChIInChI=1S/C9H20N2/c1-11-9(10)7-8-5-3-2-4-6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyGKPUNUUEPPGWLR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.46
Rot. Bonds3

About 2-cyclohexyl-1-N'-methylethane-1,1-diamine

2-cyclohexyl-1-N'-methylethane-1,1-diamine (PubChem CID 139541919) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-cyclohexyl-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name2-cyclohexyl-1-N'-methylethane-1,1-diamine
PubChem CID139541919
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-cyclohexyl-1-N'-methylethane-1,1-diamine
SMILESCNC(N)CC1CCCCC1
InChIInChI=1S/C9H20N2/c1-11-9(10)7-8-5-3-2-4-6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyGKPUNUUEPPGWLR-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 62600401
1,2-dicyclopentyl-N-methylethanamine
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CID 62601734
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795
1,3-dicyclopentylpropan-2-amine
CID 58122660
1,3-dicyclohexylpropan-2-ylhydrazine
CID 105296165
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 58597797

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-N'-methylethane-1,1-diamine?
The IUPAC name of 2-cyclohexyl-1-N'-methylethane-1,1-diamine (CID 139541919) is 2-cyclohexyl-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 2-cyclohexyl-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 2-cyclohexyl-1-N'-methylethane-1,1-diamine is CNC(N)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-N'-methylethane-1,1-diamine?
The InChIKey is GKPUNUUEPPGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-11-9(10)7-8-5-3-2-4-6-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-N'-methylethane-1,1-diamine?
2-cyclohexyl-1-N'-methylethane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 139541919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).