N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine

C22H33N5O — CID 25177707

IUPACN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1cnc(CN(CCCCN)Cc2ncccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-18-14-19(2)20(25-15-18)16-26(9-4-3-7-23)17-21-22(6-5-8-24-21)27-10-12-28-13-11-27/h5-6,8,14-15H,3-4,7,9-13,16-17,23H2,1-2H3
InChIKeyHEIVDFNROAQHEQ-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.67
Rot. Bonds9

About N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine

N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine (PubChem CID 25177707) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine
PubChem CID25177707
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1cnc(CN(CCCCN)Cc2ncccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-18-14-19(2)20(25-15-18)16-26(9-4-3-7-23)17-21-22(6-5-8-24-21)27-10-12-28-13-11-27/h5-6,8,14-15H,3-4,7,9-13,16-17,23H2,1-2H3
InChIKeyHEIVDFNROAQHEQ-UHFFFAOYSA-N
XLogP2.67
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine with MolForge

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Related Compounds

5-(3,5-dimethyl-2-pyridinyl)-4-N-[(3-morpholin-4-yl-2-pyridinyl)methyl]pentane-1,4-diamine
CID 67272410
N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
CID 156651806
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
N'-(isoquinolin-3-ylmethyl)-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11256122
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135314203
N'-[(5-chloro-3-methyl-2-pyridinyl)methyl]-N'-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]butane-1,4-diamine
CID 25177702
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-prop-2-enoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11267821
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(1-phenylimidazol-2-yl)methyl]butane-1,4-diamine
CID 11198881
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(2-phenyl-1H-imidazol-5-yl)methyl]butane-1,4-diamine
CID 11187185
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
CID 117115698
4-(2,5-dimethyl-4-pyridinyl)morpholine;ethane
CID 177212902

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine (CID 25177707) is N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine is Cc1cnc(CN(CCCCN)Cc2ncccc2N2CCOCC2)c(C)c1.
What is the InChIKey of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine?
The InChIKey is HEIVDFNROAQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-18-14-19(2)20(25-15-18)16-26(9-4-3-7-23)17-21-22(6-5-8-24-21)27-10-12-28-13-11-27/h5-6,8,14-15H,3-4,7,9-13,16-17,23H2,1-2H3.
What are the key properties of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine?
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine has a molecular weight of 383.54 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 25177707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).