1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide

C12H23N3O2 — CID 106344921

IUPAC1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(N)CCCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-8(2)9(10(13)16)15-11(17)12(14)6-4-3-5-7-12/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyQKDVARZZCMKZMM-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.27
Rot. Bonds4

About 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide

1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 106344921) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
PubChem CID106344921
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(N)CCCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-8(2)9(10(13)16)15-11(17)12(14)6-4-3-5-7-12/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyQKDVARZZCMKZMM-UHFFFAOYSA-N
XLogP0.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 93315430
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 61174176
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
CID 114417175
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
1-amino-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 103796589
1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
CID 71218807
methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169291
1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide (CID 106344921) is 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide is CC(C)C(NC(=O)C1(N)CCCCC1)C(N)=O.
What is the InChIKey of 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is QKDVARZZCMKZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)9(10(13)16)15-11(17)12(14)6-4-3-5-7-12/h8-9H,3-7,14H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106344921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).