N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide

C12H23N3O2 — CID 119725928

IUPACN-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)NCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H23N3O2/c1-9(16)14-6-3-7-15-12(17)10-4-2-5-11(13)8-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyQDBJEYMDSBHYPG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds5

About N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide

N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide (PubChem CID 119725928) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
PubChem CID119725928
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)NCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H23N3O2/c1-9(16)14-6-3-7-15-12(17)10-4-2-5-11(13)8-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyQDBJEYMDSBHYPG-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide (CID 119725928) is N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide is CC(=O)NCCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide?
The InChIKey is QDBJEYMDSBHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(16)14-6-3-7-15-12(17)10-4-2-5-11(13)8-10/h10-11H,2-8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide?
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119725928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).