4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide

C16H28N4O — CID 61210970

IUPAC4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(N)cn2C)(N(C)C)C1
InChIInChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,19(2)3)11-18-15(21)14-8-13(17)10-20(14)4/h8,10,12H,5-7,9,11,17H2,1-4H3,(H,18,21)
InChIKeyMLHVMJFKQRWBCE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61210970) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID61210970
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(N)cn2C)(N(C)C)C1
InChIInChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,19(2)3)11-18-15(21)14-8-13(17)10-20(14)4/h8,10,12H,5-7,9,11,17H2,1-4H3,(H,18,21)
InChIKeyMLHVMJFKQRWBCE-UHFFFAOYSA-N
XLogP1.85
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide (CID 61210970) is 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide is CC1CCCC(CNC(=O)c2cc(N)cn2C)(N(C)C)C1.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MLHVMJFKQRWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,19(2)3)11-18-15(21)14-8-13(17)10-20(14)4/h8,10,12H,5-7,9,11,17H2,1-4H3,(H,18,21).
What are the key properties of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61210970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).