N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid

C18H32N2O4 — CID 173401529

IUPACN-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid
SMILESC1CCC(NC2CCCCC2)CC1.C=C(C(=O)O)C1CC1.O=NO
InChIInChI=1S/C12H23N.C6H8O2.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(6(7)8)5-2-3-5;2-1-3/h11-13H,1-10H2;5H,1-3H2,(H,7,8);(H,2,3)
InChIKeyBZMDYMSDRBWMEK-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.42
Rot. Bonds4

About N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid

N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid (PubChem CID 173401529) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid
PubChem CID173401529
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid
SMILESC1CCC(NC2CCCCC2)CC1.C=C(C(=O)O)C1CC1.O=NO
InChIInChI=1S/C12H23N.C6H8O2.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(6(7)8)5-2-3-5;2-1-3/h11-13H,1-10H2;5H,1-3H2,(H,7,8);(H,2,3)
InChIKeyBZMDYMSDRBWMEK-UHFFFAOYSA-N
XLogP4.42
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyanoprop-2-enoic acid;N-cyclohexylcyclohexanamine
CID 70677412
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
3-(cyclopentylamino)cyclobutane-1-carboxylic acid
CID 117027696
N,2-dicyclohexylprop-2-enamide
CID 102470871
benzoic acid;cyclohexanamine;2-cyclopropylprop-2-enoic acid
CID 173401688
cycloheptylhydrazine;oxalic acid
CID 24838802
N-cyclopropylcyclododecanamine
CID 16776852
2-piperidin-4-ylprop-2-enoic acid
CID 67374343
2-(oxan-4-yl)prop-2-enoic acid
CID 66717552
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
N-cyclohexylcyclohexanamine;ethane
CID 67925930
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid?
The IUPAC name of N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid (CID 173401529) is N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid is C1CCC(NC2CCCCC2)CC1.C=C(C(=O)O)C1CC1.O=NO.
What is the InChIKey of N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid?
The InChIKey is BZMDYMSDRBWMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C6H8O2.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(6(7)8)5-2-3-5;2-1-3/h11-13H,1-10H2;5H,1-3H2,(H,7,8);(H,2,3).
What are the key properties of N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid?
N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid has a molecular weight of 340.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2-cyclopropylprop-2-enoic acid;nitrous acid is sourced from PubChem (CID 173401529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).