N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

C17H31N3O — CID 80632466

IUPACN-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCCCN(c1ccc(CNCCOC)cn1)C(C)CC
InChIInChI=1S/C17H31N3O/c1-5-7-11-20(15(3)6-2)17-9-8-16(14-19-17)13-18-10-12-21-4/h8-9,14-15,18H,5-7,10-13H2,1-4H3
InChIKeyKOSSLMOGHTVOJL-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.22
Rot. Bonds11

About N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (PubChem CID 80632466) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
PubChem CID80632466
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCCCN(c1ccc(CNCCOC)cn1)C(C)CC
InChIInChI=1S/C17H31N3O/c1-5-7-11-20(15(3)6-2)17-9-8-16(14-19-17)13-18-10-12-21-4/h8-9,14-15,18H,5-7,10-13H2,1-4H3
InChIKeyKOSSLMOGHTVOJL-UHFFFAOYSA-N
XLogP3.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
5-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 80629841
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (CID 80632466) is N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is CCCCN(c1ccc(CNCCOC)cn1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The InChIKey is KOSSLMOGHTVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-7-11-20(15(3)6-2)17-9-8-16(14-19-17)13-18-10-12-21-4/h8-9,14-15,18H,5-7,10-13H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80632466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).