methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate

C17H34N2O2 — CID 61002750

IUPACmethyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
SMILESCCC(C)(C)C1CCC(NCCN(C)C)(C(=O)OC)CC1
InChIInChI=1S/C17H34N2O2/c1-7-16(2,3)14-8-10-17(11-9-14,15(20)21-6)18-12-13-19(4)5/h14,18H,7-13H2,1-6H3
InChIKeyYQGIMRRMWFPWEG-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.68
Rot. Bonds7

About methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate

methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate (PubChem CID 61002750) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
PubChem CID61002750
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
SMILESCCC(C)(C)C1CCC(NCCN(C)C)(C(=O)OC)CC1
InChIInChI=1S/C17H34N2O2/c1-7-16(2,3)14-8-10-17(11-9-14,15(20)21-6)18-12-13-19(4)5/h14,18H,7-13H2,1-6H3
InChIKeyYQGIMRRMWFPWEG-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-(dimethylamino)ethylamino]-4-methylcycloheptane-1-carboxylate
CID 65085158
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
methyl 1-amino-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 60797220
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
methyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66191210
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
ethyl 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64759457
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 43754485
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate (CID 61002750) is methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate is CCC(C)(C)C1CCC(NCCN(C)C)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate?
The InChIKey is YQGIMRRMWFPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-16(2,3)14-8-10-17(11-9-14,15(20)21-6)18-12-13-19(4)5/h14,18H,7-13H2,1-6H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate?
methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 61002750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).