2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine

C15H27N3O — CID 63993136

IUPAC2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1cccc(OC)n1)C(CC)(CC)CN
InChIInChI=1S/C15H27N3O/c1-5-15(6-2,12-16)18(7-3)11-13-9-8-10-14(17-13)19-4/h8-10H,5-7,11-12,16H2,1-4H3
InChIKeyVYUMQBRUFLHGGK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.43
Rot. Bonds8

About 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine

2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine (PubChem CID 63993136) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
PubChem CID63993136
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1cccc(OC)n1)C(CC)(CC)CN
InChIInChI=1S/C15H27N3O/c1-5-15(6-2,12-16)18(7-3)11-13-9-8-10-14(17-13)19-4/h8-10H,5-7,11-12,16H2,1-4H3
InChIKeyVYUMQBRUFLHGGK-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 82865540
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[(6-methoxy-2-pyridinyl)methoxy]-2-methylpropan-1-amine
CID 65053443
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
CID 63985285
ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate
CID 106487661
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
CID 64801567
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
2-N,2-diethyl-2-N-[(3-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 62008398

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine (CID 63993136) is 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine is CCN(Cc1cccc(OC)n1)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine?
The InChIKey is VYUMQBRUFLHGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(6-2,12-16)18(7-3)11-13-9-8-10-14(17-13)19-4/h8-10H,5-7,11-12,16H2,1-4H3.
What are the key properties of 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine?
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63993136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).