4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

C13H23N3O — CID 62476974

IUPAC4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)CCc1ccncc1
InChIInChI=1S/C13H23N3O/c1-16(11-13(14)6-10-17-2)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,5-6,9-11,14H2,1-2H3
InChIKeyPJLDESOOEGVYOJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.92
Rot. Bonds8

About 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 62476974) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID62476974
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)CCc1ccncc1
InChIInChI=1S/C13H23N3O/c1-16(11-13(14)6-10-17-2)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,5-6,9-11,14H2,1-2H3
InChIKeyPJLDESOOEGVYOJ-UHFFFAOYSA-N
XLogP0.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
1-pyridin-4-ylhexan-3-amine
CID 105080578

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (CID 62476974) is 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is COCCC(N)CN(C)CCc1ccncc1.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is PJLDESOOEGVYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16(11-13(14)6-10-17-2)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,5-6,9-11,14H2,1-2H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 62476974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).