N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine

C17H29N3O — CID 63591470

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCC2(N(C)C)CCCC(C)C2)n1
InChIInChI=1S/C17H29N3O/c1-5-21-16-10-6-9-15(19-16)18-13-17(20(3)4)11-7-8-14(2)12-17/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,19)
InChIKeyDPFDXZMUCNBQJQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.40
Rot. Bonds6

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine (PubChem CID 63591470) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine
PubChem CID63591470
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCC2(N(C)C)CCCC(C)C2)n1
InChIInChI=1S/C17H29N3O/c1-5-21-16-10-6-9-15(19-16)18-13-17(20(3)4)11-7-8-14(2)12-17/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,19)
InChIKeyDPFDXZMUCNBQJQ-UHFFFAOYSA-N
XLogP3.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine (CID 63591470) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NCC2(N(C)C)CCCC(C)C2)n1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine?
The InChIKey is DPFDXZMUCNBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-16-10-6-9-15(19-16)18-13-17(20(3)4)11-7-8-14(2)12-17/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,19).
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 63591470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).