N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

C17H36N2O — CID 63692839

IUPACN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCOCCN(CC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-19(12-13-20-6-2)15-17(14-18-16(3)4)10-8-7-9-11-17/h16,18H,5-15H2,1-4H3
InChIKeyMMVIBXAXGASXAC-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 63692839) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID63692839
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCCOCCN(CC)CC1(CNC(C)C)CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-19(12-13-20-6-2)15-17(14-18-16(3)4)10-8-7-9-11-17/h16,18H,5-15H2,1-4H3
InChIKeyMMVIBXAXGASXAC-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 107401676
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 62260342
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (CID 63692839) is N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is CCOCCN(CC)CC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is MMVIBXAXGASXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-19(12-13-20-6-2)15-17(14-18-16(3)4)10-8-7-9-11-17/h16,18H,5-15H2,1-4H3.
What are the key properties of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 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(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63692839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).