3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide

C14H27N3O2 — CID 106098538

IUPAC3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,9-12(16)18)17-13(19)11-5-3-4-10(8-11)6-7-15/h10-11H,3-9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKVHGWTMSVWGYQK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.91
Rot. Bonds6

About 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 106098538) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
PubChem CID106098538
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,9-12(16)18)17-13(19)11-5-3-4-10(8-11)6-7-15/h10-11H,3-9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKVHGWTMSVWGYQK-UHFFFAOYSA-N
XLogP0.91
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-N-tert-butylcyclohexane-1-carboxamide
CID 159180079
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915853
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 62807128

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide (CID 106098538) is 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide is CC(C)(CC(N)=O)NC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is KVHGWTMSVWGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,9-12(16)18)17-13(19)11-5-3-4-10(8-11)6-7-15/h10-11H,3-9,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106098538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).