[cyclohexyl-(2-methylidenecyclohexyl)amino] formate

C14H23NO2 — CID 151916571

IUPAC[cyclohexyl-(2-methylidenecyclohexyl)amino] formate
SMILESC=C1CCCCC1N(OC=O)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-12-7-5-6-10-14(12)15(17-11-16)13-8-3-2-4-9-13/h11,13-14H,1-10H2
InChIKeySVWLGLUXXUEQII-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.21
Rot. Bonds4

About [cyclohexyl-(2-methylidenecyclohexyl)amino] formate

[cyclohexyl-(2-methylidenecyclohexyl)amino] formate (PubChem CID 151916571) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [cyclohexyl-(2-methylidenecyclohexyl)amino] formate.

Molecular Properties

Compound Name[cyclohexyl-(2-methylidenecyclohexyl)amino] formate
PubChem CID151916571
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[cyclohexyl-(2-methylidenecyclohexyl)amino] formate
SMILESC=C1CCCCC1N(OC=O)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-12-7-5-6-10-14(12)15(17-11-16)13-8-3-2-4-9-13/h11,13-14H,1-10H2
InChIKeySVWLGLUXXUEQII-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
CID 151798740
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113
azane;(dicyclohexylamino) nitrite
CID 87489236
(1R)-N-chloro-2-methylidenecyclohexan-1-amine
CID 89023498
1-iodo-2-methylidenecyclohexane
CID 91466429
2-methylcyclohexan-1-one;methyl formate
CID 174899830
(2-methylidenecycloheptyl)-phenylmethanone
CID 100964803
[(1S)-2-methylidenecycloheptyl]-phenylmethanone
CID 102046859
methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate
CID 154094057
CID 171395654
CID 171395654

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-(2-methylidenecyclohexyl)amino] formate?
The IUPAC name of [cyclohexyl-(2-methylidenecyclohexyl)amino] formate (CID 151916571) is [cyclohexyl-(2-methylidenecyclohexyl)amino] formate.
What is the SMILES notation for [cyclohexyl-(2-methylidenecyclohexyl)amino] formate?
The canonical SMILES for [cyclohexyl-(2-methylidenecyclohexyl)amino] formate is C=C1CCCCC1N(OC=O)C1CCCCC1.
What is the InChIKey of [cyclohexyl-(2-methylidenecyclohexyl)amino] formate?
The InChIKey is SVWLGLUXXUEQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-7-5-6-10-14(12)15(17-11-16)13-8-3-2-4-9-13/h11,13-14H,1-10H2.
What are the key properties of [cyclohexyl-(2-methylidenecyclohexyl)amino] formate?
[cyclohexyl-(2-methylidenecyclohexyl)amino] formate has a molecular weight of 237.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-(2-methylidenecyclohexyl)amino] formate is sourced from PubChem (CID 151916571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).