N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine

C20H40N2O2 — CID 130207479

IUPACN-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine
SMILESCOCN(CCOCN(C)C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C20H40N2O2/c1-17-5-9-19(10-6-17)21(3)15-24-14-13-22(16-23-4)20-11-7-18(2)8-12-20/h17-20H,5-16H2,1-4H3
InChIKeyFUTLJZLBUAJXHE-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.96
Rot. Bonds9

About N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine

N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 130207479) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID130207479
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine
SMILESCOCN(CCOCN(C)C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C20H40N2O2/c1-17-5-9-19(10-6-17)21(3)15-24-14-13-22(16-23-4)20-11-7-18(2)8-12-20/h17-20H,5-16H2,1-4H3
InChIKeyFUTLJZLBUAJXHE-UHFFFAOYSA-N
XLogP3.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 64775509
4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine;4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine
CID 160830532
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180368
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62553966
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115

Frequently Asked Questions

What is the IUPAC name of N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine (CID 130207479) is N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine is COCN(CCOCN(C)C1CCC(C)CC1)C1CCC(C)CC1.
What is the InChIKey of N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is FUTLJZLBUAJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-17-5-9-19(10-6-17)21(3)15-24-14-13-22(16-23-4)20-11-7-18(2)8-12-20/h17-20H,5-16H2,1-4H3.
What are the key properties of N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine?
N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 340.55 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 130207479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).