3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine

C14H25N3O — CID 63225867

IUPAC3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1c(C)cnc(CN(C)C(C)CCN)c1C
InChIInChI=1S/C14H25N3O/c1-10-8-16-13(12(3)14(10)18-5)9-17(4)11(2)6-7-15/h8,11H,6-7,9,15H2,1-5H3
InChIKeyCSPSFFUPPAWLJH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.88
Rot. Bonds6

About 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine

3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 63225867) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
PubChem CID63225867
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1c(C)cnc(CN(C)C(C)CCN)c1C
InChIInChI=1S/C14H25N3O/c1-10-8-16-13(12(3)14(10)18-5)9-17(4)11(2)6-7-15/h8,11H,6-7,9,15H2,1-5H3
InChIKeyCSPSFFUPPAWLJH-UHFFFAOYSA-N
XLogP1.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
CID 76928126
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 62006915
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 61350906
7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
CID 116581697
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102875144
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 43319584

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine (CID 63225867) is 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine is COc1c(C)cnc(CN(C)C(C)CCN)c1C.
What is the InChIKey of 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is CSPSFFUPPAWLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-8-16-13(12(3)14(10)18-5)9-17(4)11(2)6-7-15/h8,11H,6-7,9,15H2,1-5H3.
What are the key properties of 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine?
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63225867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).