[4-[(dimethylamino)methyl]cyclohexyl] formate

C10H19NO2 — CID 57028434

IUPAC[4-[(dimethylamino)methyl]cyclohexyl] formate
SMILESCN(C)CC1CCC(OC=O)CC1
InChIInChI=1S/C10H19NO2/c1-11(2)7-9-3-5-10(6-4-9)13-8-12/h8-10H,3-7H2,1-2H3
InChIKeyATDYPSWERKIWHE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

About [4-[(dimethylamino)methyl]cyclohexyl] formate

[4-[(dimethylamino)methyl]cyclohexyl] formate (PubChem CID 57028434) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]cyclohexyl] formate
PubChem CID57028434
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[4-[(dimethylamino)methyl]cyclohexyl] formate
SMILESCN(C)CC1CCC(OC=O)CC1
InChIInChI=1S/C10H19NO2/c1-11(2)7-9-3-5-10(6-4-9)13-8-12/h8-10H,3-7H2,1-2H3
InChIKeyATDYPSWERKIWHE-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(Methylaminomethyl)cyclohexyl] formate
CID 57016890
[4-(Diethylaminomethyl)cyclohexyl] formate
CID 57097650
[4-[[Formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate
CID 57227644
[4-(Methylaminomethyl)cyclohexyl] formate;hydrochloride
CID 88328735
[4-(Diethylaminomethyl)cyclohexyl] formate;hydrochloride
CID 88328851
[4-[(Dimethylamino)methyl]cyclohexyl] formate;hydrochloride
CID 88329386
Ethane;[1-(1-ethylpiperidin-4-yl)-3-methylbutan-2-yl] formate
CID 144144713
N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
CID 163967088
[4-(Piperidin-1-ylmethyl)cyclohexyl] formate
CID 143316782
[1-(1-Ethylpiperidin-4-yl)-3-methylbutan-2-yl] formate
CID 144144714

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]cyclohexyl] formate?
The IUPAC name of [4-[(dimethylamino)methyl]cyclohexyl] formate (CID 57028434) is [4-[(dimethylamino)methyl]cyclohexyl] formate.
What is the SMILES notation for [4-[(dimethylamino)methyl]cyclohexyl] formate?
The canonical SMILES for [4-[(dimethylamino)methyl]cyclohexyl] formate is CN(C)CC1CCC(OC=O)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]cyclohexyl] formate?
The InChIKey is ATDYPSWERKIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)7-9-3-5-10(6-4-9)13-8-12/h8-10H,3-7H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]cyclohexyl] formate?
[4-[(dimethylamino)methyl]cyclohexyl] formate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]cyclohexyl] formate is sourced from PubChem (CID 57028434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).