4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

C14H27N3O2 — CID 102628630

IUPAC4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC(C)(C)C(N)=O)C1(C)C
InChIInChI=1S/C14H27N3O2/c1-8-10(15)7-6-9(13(8,2)3)11(18)17-14(4,5)12(16)19/h8-10H,6-7,15H2,1-5H3,(H2,16,19)(H,17,18)
InChIKeyNUQXOIUOYWDPOG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628630) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628630
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC(C)(C)C(N)=O)C1(C)C
InChIInChI=1S/C14H27N3O2/c1-8-10(15)7-6-9(13(8,2)3)11(18)17-14(4,5)12(16)19/h8-10H,6-7,15H2,1-5H3,(H2,16,19)(H,17,18)
InChIKeyNUQXOIUOYWDPOG-UHFFFAOYSA-N
XLogP0.77
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide
CID 106213196
N-ethyl-2-[3-(ethylamino)-2,6-dimethylcyclohexyl]acetamide
CID 23529450
1-(Ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 60786058
(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide
CID 165059161
(1S)-2-[[(2R)-2-aminopropanoyl]amino]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175932843
2-Tert-butyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 54891957
5-Methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 54892056
2-Tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxamide
CID 54893989
1-(Butan-2-ylamino)-3,3,5-trimethylcyclohexane-1-carboxamide
CID 54907903
1-(Butan-2-ylamino)-4-tert-butylcyclohexane-1-carboxamide
CID 54908004
1-(Butan-2-ylamino)-2-tert-butylcyclohexane-1-carboxamide
CID 54908051
1-(Butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54908142

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628630) is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NC(C)(C)C(N)=O)C1(C)C.
What is the InChIKey of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is NUQXOIUOYWDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-8-10(15)7-6-9(13(8,2)3)11(18)17-14(4,5)12(16)19/h8-10H,6-7,15H2,1-5H3,(H2,16,19)(H,17,18).
What are the key properties of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).