N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine

C17H36N2O — CID 81073788

IUPACN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCOCC)CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-14-17(9-7-16(3)8-10-17)15-19(4)12-13-20-6-2/h16,18H,5-15H2,1-4H3
InChIKeyBXZPJHZHJRJCMW-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds10

About N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine

N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 81073788) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
PubChem CID81073788
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCOCC)CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-14-17(9-7-16(3)8-10-17)15-19(4)12-13-20-6-2/h16,18H,5-15H2,1-4H3
InChIKeyBXZPJHZHJRJCMW-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 79843903
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
N-methyl-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]-2-propan-2-yloxyethanamine
CID 81074520
N-[[4-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 81063355
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine (CID 81073788) is N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1(CN(C)CCOCC)CCC(C)CC1.
What is the InChIKey of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is BXZPJHZHJRJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-11-18-14-17(9-7-16(3)8-10-17)15-19(4)12-13-20-6-2/h16,18H,5-15H2,1-4H3.
What are the key properties of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine?
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81073788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).