[amino(cyclohexyl)methyl] formate

C8H15NO2 — CID 175363553

IUPAC[amino(cyclohexyl)methyl] formate
SMILESNC(OC=O)C1CCCCC1
InChIInChI=1S/C8H15NO2/c9-8(11-6-10)7-4-2-1-3-5-7/h6-8H,1-5,9H2
InChIKeyWVPWOKQXKBJMKA-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds3

About [amino(cyclohexyl)methyl] formate

[amino(cyclohexyl)methyl] formate (PubChem CID 175363553) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [amino(cyclohexyl)methyl] formate.

Molecular Properties

Compound Name[amino(cyclohexyl)methyl] formate
PubChem CID175363553
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[amino(cyclohexyl)methyl] formate
SMILESNC(OC=O)C1CCCCC1
InChIInChI=1S/C8H15NO2/c9-8(11-6-10)7-4-2-1-3-5-7/h6-8H,1-5,9H2
InChIKeyWVPWOKQXKBJMKA-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[amino(cyclopropyl)methyl] formate
CID 175259490
cycloheptyl(cyclohexyl)methanamine
CID 65399873
dicyclopropylmethyl formate
CID 90002700
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
[(1R)-1-cyclopropylethyl] formate
CID 143509718
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
cyclohexyl(silyl)methanamine
CID 174790563
(2S)-2-amino-3-cyclohexyl-4-formyloxy-2,4-dimethylpentanoic acid
CID 173359095
[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
(2R)-2-amino-3-cyclopentylpropanal
CID 54251321
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005

Frequently Asked Questions

What is the IUPAC name of [amino(cyclohexyl)methyl] formate?
The IUPAC name of [amino(cyclohexyl)methyl] formate (CID 175363553) is [amino(cyclohexyl)methyl] formate.
What is the SMILES notation for [amino(cyclohexyl)methyl] formate?
The canonical SMILES for [amino(cyclohexyl)methyl] formate is NC(OC=O)C1CCCCC1.
What is the InChIKey of [amino(cyclohexyl)methyl] formate?
The InChIKey is WVPWOKQXKBJMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8(11-6-10)7-4-2-1-3-5-7/h6-8H,1-5,9H2.
What are the key properties of [amino(cyclohexyl)methyl] formate?
[amino(cyclohexyl)methyl] formate has a molecular weight of 157.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclohexyl)methyl] formate is sourced from PubChem (CID 175363553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).