2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine

C19H36N2 — CID 63681524

IUPAC2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN(C)CC2CC3CCC2C3)C1
InChIInChI=1S/C19H36N2/c1-4-14-6-8-19(20-2)18(9-14)13-21(3)12-17-11-15-5-7-16(17)10-15/h14-20H,4-13H2,1-3H3
InChIKeyKADUEWCIPDRUQI-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.77
Rot. Bonds6

About 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 63681524) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID63681524
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN(C)CC2CC3CCC2C3)C1
InChIInChI=1S/C19H36N2/c1-4-14-6-8-19(20-2)18(9-14)13-21(3)12-17-11-15-5-7-16(17)10-15/h14-20H,4-13H2,1-3H3
InChIKeyKADUEWCIPDRUQI-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine with MolForge

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Related Compounds

4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
CID 55231832
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744252
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
CID 79550427
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 63681524) is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(CN(C)CC2CC3CCC2C3)C1.
What is the InChIKey of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is KADUEWCIPDRUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-14-6-8-19(20-2)18(9-14)13-21(3)12-17-11-15-5-7-16(17)10-15/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).