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

C18H37NO2 — CID 19890011

IUPACN-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol
SMILESCCC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C5H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(2,7)4-6/h12-13H,2-11H2,1H3;6-7H,3-4H2,1-2H3
InChIKeyBHZHTUFVEVRZGF-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.72
Rot. Bonds4

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

N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol (PubChem CID 19890011) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol
PubChem CID19890011
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol
SMILESCCC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C5H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(2,7)4-6/h12-13H,2-11H2,1H3;6-7H,3-4H2,1-2H3
InChIKeyBHZHTUFVEVRZGF-UHFFFAOYSA-N
XLogP3.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Dicyclohexylamino)methyl]-2-ethylpropane-1,3-diol
CID 53929331
3-(Dicyclohexylamino)-3-methylbutan-1-ol
CID 140272961
N-cyclohexyl-N-methylcyclohexanamine;2-methylbutan-2-ol;hydrate
CID 144142699
2-methylbutane-1,2-diol;N-methyl-N-pentylpentan-1-amine
CID 19889990
N-cyclohexyl-N-methylcyclohexanamine;2-methylpropane-1,2-diol
CID 19890004
N-hexyl-N-methylhexan-1-amine;2-methylbutane-1,2-diol
CID 19890048

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol (CID 19890011) is N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol is CCC(C)(O)CO.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol?
The InChIKey is BHZHTUFVEVRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C5H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(2,7)4-6/h12-13H,2-11H2,1H3;6-7H,3-4H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol?
N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol has a molecular weight of 299.50 g/mol, XLogP of 3.72, 4 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-methylbutane-1,2-diol is sourced from PubChem (CID 19890011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).