N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol

C17H35NO2 — CID 19890004

IUPACN-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol
SMILESCC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C4H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-4(2,6)3-5/h12-13H,2-11H2,1H3;5-6H,3H2,1-2H3
InChIKeyZWFLOEHVCNYKAV-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.33
Rot. Bonds3

About N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol

N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol (PubChem CID 19890004) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol
PubChem CID19890004
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol
SMILESCC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C4H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-4(2,6)3-5/h12-13H,2-11H2,1H3;5-6H,3H2,1-2H3
InChIKeyZWFLOEHVCNYKAV-UHFFFAOYSA-N
XLogP3.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol (CID 19890004) is N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol is CC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol?
The InChIKey is ZWFLOEHVCNYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C4H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-4(2,6)3-5/h12-13H,2-11H2,1H3;5-6H,3H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol?
N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol has a molecular weight of 285.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol is sourced from PubChem (CID 19890004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).