2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide

C13H26N4O2 — CID 83117542

IUPAC2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCCNC(=O)N(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBPVSUKMOAMUQBB-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide (PubChem CID 83117542) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
PubChem CID83117542
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NCCNC(=O)N(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBPVSUKMOAMUQBB-UHFFFAOYSA-N
XLogP0.14
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 65454343
1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
CID 83115963
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356
2-amino-5-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 65454339
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65453766
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65456053
2-amino-N,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 65454721
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide (CID 83117542) is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide is CC1CCC(N)C(C(=O)NCCNC(=O)N(C)C)C1.
What is the InChIKey of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide?
The InChIKey is BPVSUKMOAMUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-9-4-5-11(14)10(8-9)12(18)15-6-7-16-13(19)17(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide?
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 83117542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).