2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide

C13H25N3O2 — CID 106280298

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)C1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-8-5-4-6-9(14)10(8)11(17)16-7-13(2,3)12(15)18/h8-10H,4-7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeySLQBTZCVHWXCNP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.38
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide (PubChem CID 106280298) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
PubChem CID106280298
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)C1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-8-5-4-6-9(14)10(8)11(17)16-7-13(2,3)12(15)18/h8-10H,4-7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeySLQBTZCVHWXCNP-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
CID 103809539
2-amino-N-(2-amino-2-oxoethyl)-6-methylcyclohexane-1-carboxamide
CID 62778088
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103809511
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-6-methylcyclohexane-1-carboxamide
CID 55116655
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
CID 55116748
2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818276
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
CID 62781980
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
CID 62783221
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
2-amino-6-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 62783318

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide (CID 106280298) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide is CC1CCCC(N)C1C(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide?
The InChIKey is SLQBTZCVHWXCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8-5-4-6-9(14)10(8)11(17)16-7-13(2,3)12(15)18/h8-10H,4-7,14H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106280298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).