azane;benzoic acid;carbamic acid;cyclohexanamine

C14H25N3O4 — CID 173025744

IUPACazane;benzoic acid;carbamic acid;cyclohexanamine
SMILESN.NC(=O)O.NC1CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H13N.CH3NO2.H3N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3)4;/h1-5H,(H,8,9);6H,1-5,7H2;2H2,(H,3,4);1H3
InChIKeyBINNZNXNAKZUPO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.45
Rot. Bonds1

About azane;benzoic acid;carbamic acid;cyclohexanamine

azane;benzoic acid;carbamic acid;cyclohexanamine (PubChem CID 173025744) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is azane;benzoic acid;carbamic acid;cyclohexanamine.

Molecular Properties

Compound Nameazane;benzoic acid;carbamic acid;cyclohexanamine
PubChem CID173025744
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameazane;benzoic acid;carbamic acid;cyclohexanamine
SMILESN.NC(=O)O.NC1CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H13N.CH3NO2.H3N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3)4;/h1-5H,(H,8,9);6H,1-5,7H2;2H2,(H,3,4);1H3
InChIKeyBINNZNXNAKZUPO-UHFFFAOYSA-N
XLogP2.45
TPSA161.64 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

benzoic acid;cyclobutene-1-carboxylic acid;cyclohexanamine
CID 173401390
benzoic acid;cyclohexanamine;2-cyclopropylprop-2-enoic acid
CID 173401688
cyclohexanamine;4-propan-2-ylbenzoic acid
CID 173455023
benzoic acid;methylcyclopentane
CID 68907828
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
cyclohexanamine;2-phenylacetic acid
CID 70192288
benzoic acid;methoxymethylcyclohexane
CID 175415905
cyclohexanamine;diphenylmethanediamine
CID 175293358
benzoic acid;methanamine
CID 158244769
benzoic acid;zirconium
CID 173089080
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339

Frequently Asked Questions

What is the IUPAC name of azane;benzoic acid;carbamic acid;cyclohexanamine?
The IUPAC name of azane;benzoic acid;carbamic acid;cyclohexanamine (CID 173025744) is azane;benzoic acid;carbamic acid;cyclohexanamine.
What is the SMILES notation for azane;benzoic acid;carbamic acid;cyclohexanamine?
The canonical SMILES for azane;benzoic acid;carbamic acid;cyclohexanamine is N.NC(=O)O.NC1CCCCC1.O=C(O)c1ccccc1.
What is the InChIKey of azane;benzoic acid;carbamic acid;cyclohexanamine?
The InChIKey is BINNZNXNAKZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H13N.CH3NO2.H3N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3)4;/h1-5H,(H,8,9);6H,1-5,7H2;2H2,(H,3,4);1H3.
What are the key properties of azane;benzoic acid;carbamic acid;cyclohexanamine?
azane;benzoic acid;carbamic acid;cyclohexanamine has a molecular weight of 299.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzoic acid;carbamic acid;cyclohexanamine is sourced from PubChem (CID 173025744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).