4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide

C14H29N3O — CID 102628173

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCN(C)C)C1(C)C
InChIInChI=1S/C14H29N3O/c1-10-12(15)7-6-11(14(10,2)3)13(18)16-8-9-17(4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyOXHKPYFPBYNZSW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628173) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628173
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCN(C)C)C1(C)C
InChIInChI=1S/C14H29N3O/c1-10-12(15)7-6-11(14(10,2)3)13(18)16-8-9-17(4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyOXHKPYFPBYNZSW-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,4,4-trimethylcyclohexyl)pentanamide
CID 91645153
4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628479
4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628517
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628524
4-amino-N-ethyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628708
4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628709
4-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 102628820
4-amino-N,2,2,3-tetramethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 102628966
4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629115
4-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 102629120
4-amino-2,2,3-trimethyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 102629121
4-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexane-1-carboxamide
CID 105937354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628173) is 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCCN(C)C)C1(C)C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is OXHKPYFPBYNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10-12(15)7-6-11(14(10,2)3)13(18)16-8-9-17(4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).