N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine

C24H30N4O — CID 11474784

IUPACN'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1cccnc1CN(CCCCN)Cc1ncccc1OCc1ccccc1
InChIInChI=1S/C24H30N4O/c1-20-9-7-14-26-22(20)17-28(16-6-5-13-25)18-23-24(12-8-15-27-23)29-19-21-10-3-2-4-11-21/h2-4,7-12,14-15H,5-6,13,16-19,25H2,1H3
InChIKeySSFYRKAQVFLWAZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.11
Rot. Bonds11

About N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine

N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine (PubChem CID 11474784) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine
PubChem CID11474784
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1cccnc1CN(CCCCN)Cc1ncccc1OCc1ccccc1
InChIInChI=1S/C24H30N4O/c1-20-9-7-14-26-22(20)17-28(16-6-5-13-25)18-23-24(12-8-15-27-23)29-19-21-10-3-2-4-11-21/h2-4,7-12,14-15H,5-6,13,16-19,25H2,1H3
InChIKeySSFYRKAQVFLWAZ-UHFFFAOYSA-N
XLogP4.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-prop-2-enoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11267821
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(1-phenylimidazol-2-yl)methyl]butane-1,4-diamine
CID 11198881
N'-(isoquinolin-3-ylmethyl)-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11256122
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(2-phenyl-1H-imidazol-5-yl)methyl]butane-1,4-diamine
CID 11187185
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine (CID 11474784) is N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine is Cc1cccnc1CN(CCCCN)Cc1ncccc1OCc1ccccc1.
What is the InChIKey of N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine?
The InChIKey is SSFYRKAQVFLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-20-9-7-14-26-22(20)17-28(16-6-5-13-25)18-23-24(12-8-15-27-23)29-19-21-10-3-2-4-11-21/h2-4,7-12,14-15H,5-6,13,16-19,25H2,1H3.
What are the key properties of N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine?
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine has a molecular weight of 390.53 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 11474784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).