4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide

C13H26N2O3 — CID 62806612

IUPAC4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCOCCOCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H26N2O3/c1-17-8-9-18-7-6-15-13(16)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyAGEOFEIDWMUSIH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.53
Rot. Bonds8

About 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 62806612) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID62806612
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCOCCOCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H26N2O3/c1-17-8-9-18-7-6-15-13(16)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyAGEOFEIDWMUSIH-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.53
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

3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 104694634
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
4-ethyl-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 157185974

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide (CID 62806612) is 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide is COCCOCCNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AGEOFEIDWMUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-17-8-9-18-7-6-15-13(16)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.53, 8 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-methoxyethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62806612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).