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

C15H27N3 — CID 79267944

IUPAC2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1cccc(C)n1)C(CC)(CC)CN
InChIInChI=1S/C15H27N3/c1-5-15(6-2,12-16)18(7-3)11-14-10-8-9-13(4)17-14/h8-10H,5-7,11-12,16H2,1-4H3
InChIKeyUDVREBVYBRJMCQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.73
Rot. Bonds7

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

2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine (PubChem CID 79267944) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
PubChem CID79267944
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1cccc(C)n1)C(CC)(CC)CN
InChIInChI=1S/C15H27N3/c1-5-15(6-2,12-16)18(7-3)11-14-10-8-9-13(4)17-14/h8-10H,5-7,11-12,16H2,1-4H3
InChIKeyUDVREBVYBRJMCQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 82865540
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
CID 64801567
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
2,2-dimethyl-3-(6-methyl-2-pyridinyl)propan-1-amine
CID 130514638
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine (CID 79267944) is 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine is CCN(Cc1cccc(C)n1)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine?
The InChIKey is UDVREBVYBRJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(6-2,12-16)18(7-3)11-14-10-8-9-13(4)17-14/h8-10H,5-7,11-12,16H2,1-4H3.
What are the key properties of 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine?
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 79267944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).