2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide

C10H19N3O3 — CID 112674216

IUPAC2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NOCC(N)=O
InChIInChI=1S/C10H19N3O3/c11-5-7-3-1-2-4-8(7)10(15)13-16-6-9(12)14/h7-8H,1-6,11H2,(H2,12,14)(H,13,15)
InChIKeyAEEFDERRARIKDX-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.72
Rot. Bonds5

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

2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide (PubChem CID 112674216) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
PubChem CID112674216
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NOCC(N)=O
InChIInChI=1S/C10H19N3O3/c11-5-7-3-1-2-4-8(7)10(15)13-16-6-9(12)14/h7-8H,1-6,11H2,(H2,12,14)(H,13,15)
InChIKeyAEEFDERRARIKDX-UHFFFAOYSA-N
XLogP-0.72
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651
2-(cyclopentylamino)oxyacetamide
CID 112639582
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
N-(2-amino-2-oxoethoxy)thiolane-2-carboxamide
CID 112551031
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 114097955
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide (CID 112674216) is 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)NOCC(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide?
The InChIKey is AEEFDERRARIKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-5-7-3-1-2-4-8(7)10(15)13-16-6-9(12)14/h7-8H,1-6,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 112674216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).