3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

C14H27N3O2 — CID 63043214

IUPAC3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H27N3O2/c1-9(2)7-12(14(19)16-3)17-13(18)10-5-4-6-11(15)8-10/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCDJLENZQNHIKPQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 63043214) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID63043214
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H27N3O2/c1-9(2)7-12(14(19)16-3)17-13(18)10-5-4-6-11(15)8-10/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCDJLENZQNHIKPQ-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 64822146
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113267257
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
CID 115739612
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119842264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 63043214) is 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CDJLENZQNHIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)7-12(14(19)16-3)17-13(18)10-5-4-6-11(15)8-10/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63043214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).