1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine

C14H30N2O — CID 104646719

IUPAC1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CCCCOC)CC1
InChIInChI=1S/C14H30N2O/c1-4-15-13-7-9-14(10-8-13)16(2)11-5-6-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyPLDJRTBONSFLGK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine

1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 104646719) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID104646719
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CCCCOC)CC1
InChIInChI=1S/C14H30N2O/c1-4-15-13-7-9-14(10-8-13)16(2)11-5-6-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyPLDJRTBONSFLGK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
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

6-[[4-(ethylamino)cyclohexyl]-methylamino]hexan-1-ol
CID 107701944
4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 115741538
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
CID 79123111
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
CID 114384646
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80999921
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 102662655

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine (CID 104646719) is 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine is CCNC1CCC(N(C)CCCCOC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is PLDJRTBONSFLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-15-13-7-9-14(10-8-13)16(2)11-5-6-12-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine?
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 104646719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).