1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

C17H29N3OS — CID 119849782

IUPAC1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(N)CCCCC1)c1ccsc1
InChIInChI=1S/C17H29N3OS/c1-3-20(4-2)15(14-8-11-22-13-14)12-19-16(21)17(18)9-6-5-7-10-17/h8,11,13,15H,3-7,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyNMBMUFLIAPSXEW-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.91
Rot. Bonds7

About 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 119849782) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID119849782
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(N)CCCCC1)c1ccsc1
InChIInChI=1S/C17H29N3OS/c1-3-20(4-2)15(14-8-11-22-13-14)12-19-16(21)17(18)9-6-5-7-10-17/h8,11,13,15H,3-7,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyNMBMUFLIAPSXEW-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 61250903
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933262
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
CID 51086143

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (CID 119849782) is 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is CCN(CC)C(CNC(=O)C1(N)CCCCC1)c1ccsc1.
What is the InChIKey of 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is NMBMUFLIAPSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-3-20(4-2)15(14-8-11-22-13-14)12-19-16(21)17(18)9-6-5-7-10-17/h8,11,13,15H,3-7,9-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119849782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).