N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid

C19H35NO4 — CID 70625667

IUPACN-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
SMILESCN(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C13H25N.C6H10O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;7-5(8)3-1-2-4-6(9)10/h12-13H,2-11H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyKMSQKNLBKOPZFT-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.30
Rot. Bonds7

About N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid

N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid (PubChem CID 70625667) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
PubChem CID70625667
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
SMILESCN(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C13H25N.C6H10O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;7-5(8)3-1-2-4-6(9)10/h12-13H,2-11H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyKMSQKNLBKOPZFT-UHFFFAOYSA-N
XLogP4.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
CID 173099176
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
N,N-dimethylcyclohexanamine;(Z)-octadec-9-enoic acid
CID 131882797
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]carbamoylamino]butanoic acid
CID 122005059
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
dicyclohexylmethanediamine;hexanedioic acid
CID 70400828

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid (CID 70625667) is N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid is CN(C1CCCCC1)C1CCCCC1.O=C(O)CCCCC(=O)O.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid?
The InChIKey is KMSQKNLBKOPZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C6H10O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;7-5(8)3-1-2-4-6(9)10/h12-13H,2-11H2,1H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid?
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid has a molecular weight of 341.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid is sourced from PubChem (CID 70625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).