N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide

C14H28N2O — CID 62717748

IUPACN-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide
SMILESCN(CCN)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)12-7-5-11(6-8-12)13(17)16(4)10-9-15/h11-12H,5-10,15H2,1-4H3
InChIKeyFHLNYGLLWWHHBP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.26
Rot. Bonds3

About N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide

N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide (PubChem CID 62717748) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide
PubChem CID62717748
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide
SMILESCN(CCN)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)12-7-5-11(6-8-12)13(17)16(4)10-9-15/h11-12H,5-10,15H2,1-4H3
InChIKeyFHLNYGLLWWHHBP-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
CID 55220481
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426
4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115760153
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64511192
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide (CID 62717748) is N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide is CN(CCN)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is FHLNYGLLWWHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)12-7-5-11(6-8-12)13(17)16(4)10-9-15/h11-12H,5-10,15H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62717748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).