1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate

C22H38N2O2 — CID 143928747

IUPAC1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate
SMILESCC(CC1CCCCC1)N(C)C.CC(c1cccc(OC=O)c1)N(C)C
InChIInChI=1S/C11H15NO2.C11H23N/c1-9(12(2)3)10-5-4-6-11(7-10)14-8-13;1-10(12(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3;10-11H,4-9H2,1-3H3
InChIKeyVWTRRHGPGKRJDT-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.75
Rot. Bonds7

About 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate

1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate (PubChem CID 143928747) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate
PubChem CID143928747
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate
SMILESCC(CC1CCCCC1)N(C)C.CC(c1cccc(OC=O)c1)N(C)C
InChIInChI=1S/C11H15NO2.C11H23N/c1-9(12(2)3)10-5-4-6-11(7-10)14-8-13;1-10(12(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3;10-11H,4-9H2,1-3H3
InChIKeyVWTRRHGPGKRJDT-UHFFFAOYSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
CID 174679854
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate?
The IUPAC name of 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate (CID 143928747) is 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate?
The canonical SMILES for 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate is CC(CC1CCCCC1)N(C)C.CC(c1cccc(OC=O)c1)N(C)C.
What is the InChIKey of 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate?
The InChIKey is VWTRRHGPGKRJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C11H23N/c1-9(12(2)3)10-5-4-6-11(7-10)14-8-13;1-10(12(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3;10-11H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate?
1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate has a molecular weight of 362.56 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethylpropan-2-amine;[3-[1-(dimethylamino)ethyl]phenyl] formate is sourced from PubChem (CID 143928747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).