1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide

C12H23N3O3 — CID 106235064

IUPAC1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCOCC(N)=O)CCCCC1
InChIInChI=1S/C12H23N3O3/c13-9-12(4-2-1-3-5-12)11(17)15-6-7-18-8-10(14)16/h1-9,13H2,(H2,14,16)(H,15,17)
InChIKeyCORPRXRJSLRCFP-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.49
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 106235064) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID106235064
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCOCC(N)=O)CCCCC1
InChIInChI=1S/C12H23N3O3/c13-9-12(4-2-1-3-5-12)11(17)15-6-7-18-8-10(14)16/h1-9,13H2,(H2,14,16)(H,15,17)
InChIKeyCORPRXRJSLRCFP-UHFFFAOYSA-N
XLogP-0.49
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.49
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-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
CID 106235075
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
1-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106234720
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 106240207
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 114162134
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide (CID 106235064) is 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide is NCC1(C(=O)NCCOCC(N)=O)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CORPRXRJSLRCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-9-12(4-2-1-3-5-12)11(17)15-6-7-18-8-10(14)16/h1-9,13H2,(H2,14,16)(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106235064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).