4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide

C13H26N2O3 — CID 106310523

IUPAC4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCOCCO)CC1
InChIInChI=1S/C13H26N2O3/c14-10-11-2-4-12(5-3-11)13(17)15-6-1-8-18-9-7-16/h11-12,16H,1-10,14H2,(H,15,17)
InChIKeyGDLZYZOUPGYKPL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.27
Rot. Bonds8

About 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 106310523) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
PubChem CID106310523
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCOCCO)CC1
InChIInChI=1S/C13H26N2O3/c14-10-11-2-4-12(5-3-11)13(17)15-6-1-8-18-9-7-16/h11-12,16H,1-10,14H2,(H,15,17)
InChIKeyGDLZYZOUPGYKPL-UHFFFAOYSA-N
XLogP0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide (CID 106310523) is 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCCOCCO)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is GDLZYZOUPGYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c14-10-11-2-4-12(5-3-11)13(17)15-6-1-8-18-9-7-16/h11-12,16H,1-10,14H2,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106310523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).