N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine

C18H38N2 — CID 64734674

IUPACN-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(CC(C)C)C(C)C
InChIInChI=1S/C18H38N2/c1-8-19-18-10-15(6)9-16(7)17(18)12-20(14(4)5)11-13(2)3/h13-19H,8-12H2,1-7H3
InChIKeyBKJFLVPLQNSSJO-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.01
Rot. Bonds7

About N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 64734674) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID64734674
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(CC(C)C)C(C)C
InChIInChI=1S/C18H38N2/c1-8-19-18-10-15(6)9-16(7)17(18)12-20(14(4)5)11-13(2)3/h13-19H,8-12H2,1-7H3
InChIKeyBKJFLVPLQNSSJO-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987499
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79491996
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310026
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64736237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (CID 64734674) is N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is CCNC1CC(C)CC(C)C1CN(CC(C)C)C(C)C.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is BKJFLVPLQNSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-19-18-10-15(6)9-16(7)17(18)12-20(14(4)5)11-13(2)3/h13-19H,8-12H2,1-7H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64734674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).