5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide

C13H25N3O2 — CID 102706633

IUPAC5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC(C)(C)C(N)=O)CC1N
InChIInChI=1S/C13H25N3O2/c1-7-5-8(2)10(14)6-9(7)11(17)16-13(3,4)12(15)18/h7-10H,5-6,14H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyYIUWKFTYISVOFF-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.38
Rot. Bonds3

About 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706633) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706633
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC(C)(C)C(N)=O)CC1N
InChIInChI=1S/C13H25N3O2/c1-7-5-8(2)10(14)6-9(7)11(17)16-13(3,4)12(15)18/h7-10H,5-6,14H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyYIUWKFTYISVOFF-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65456053
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389113
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706633) is 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)NC(C)(C)C(N)=O)CC1N.
What is the InChIKey of 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is YIUWKFTYISVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-7-5-8(2)10(14)6-9(7)11(17)16-13(3,4)12(15)18/h7-10H,5-6,14H2,1-4H3,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).