2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2O — CID 63612057

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)13(20)7-11-3-5-12(8-18)6-4-11/h10-12H,3-9,18H2,1-2H3
InChIKeyHKPCLKILZDDOQE-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63612057) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63612057
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)13(20)7-11-3-5-12(8-18)6-4-11/h10-12H,3-9,18H2,1-2H3
InChIKeyHKPCLKILZDDOQE-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64610975
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
CID 63612231
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63725529
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
2-(4-aminocyclohexyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82961246
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 55215076
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 63612057) is 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HKPCLKILZDDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)13(20)7-11-3-5-12(8-18)6-4-11/h10-12H,3-9,18H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63612057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).