N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid

C19H37NO2 — CID 173099176

IUPACN-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
SMILESCCCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C6H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5-6(7)8/h12-13H,2-11H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyIHFUHASOVGLEJQ-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.23
Rot. Bonds6

About N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid

N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid (PubChem CID 173099176) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
PubChem CID173099176
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
SMILESCCCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C6H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5-6(7)8/h12-13H,2-11H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyIHFUHASOVGLEJQ-UHFFFAOYSA-N
XLogP5.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
N,N-dimethylcyclohexanamine;(Z)-octadec-9-enoic acid
CID 131882797
tris(cyclododecanol);hexadecanoic acid
CID 175985554
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
N,N-dimethylmethanamine;octanoic acid
CID 173098896
heptanoic acid;indigane
CID 173230324
hexadecanoic acid;indigane
CID 173026734
decanoic acid;propanoic acid
CID 87792095
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanedioic acid;dodecane
CID 159822517

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid (CID 173099176) is N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid is CCCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid?
The InChIKey is IHFUHASOVGLEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C6H12O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5-6(7)8/h12-13H,2-11H2,1H3;2-5H2,1H3,(H,7,8).
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid?
N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid has a molecular weight of 311.51 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid is sourced from PubChem (CID 173099176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).