4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide

C13H26N2O3 — CID 114243092

IUPAC4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CCOCCO)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H26N2O3/c1-15(6-8-18-9-7-16)13(17)12-4-2-11(10-14)3-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyLHEGJIZXAXHCKK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.22
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 114243092) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide
PubChem CID114243092
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CCOCCO)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H26N2O3/c1-15(6-8-18-9-7-16)13(17)12-4-2-11(10-14)3-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyLHEGJIZXAXHCKK-UHFFFAOYSA-N
XLogP0.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119340564
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243071
N-[2-(2-hydroxyethoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114243077
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074510
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide (CID 114243092) is 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide is CN(CCOCCO)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is LHEGJIZXAXHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-15(6-8-18-9-7-16)13(17)12-4-2-11(10-14)3-5-12/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).