4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

C28H42N6O — CID 143450334

IUPAC4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCNc2ccccn2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C18H27N5O.C8H9N.C2H6/c1-3-10-23(11-4-2)15-13-16(19)22-18(14-15)24-12-9-21-17-7-5-6-8-20-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,22)(H,20,21);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyHGLSEWPTVVDTII-YJXWIHHLSA-N
MW478.69 g/mol
LogP6.19
Rot. Bonds11

About 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (PubChem CID 143450334) has the molecular formula C28H42N6O and a molecular weight of 478.69 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
PubChem CID143450334
Molecular FormulaC28H42N6O
Molecular Weight478.69 g/mol
Exact Mass478.34
IUPAC Name4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCNc2ccccn2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C18H27N5O.C8H9N.C2H6/c1-3-10-23(11-4-2)15-13-16(19)22-18(14-15)24-12-9-21-17-7-5-6-8-20-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,22)(H,20,21);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyHGLSEWPTVVDTII-YJXWIHHLSA-N
XLogP6.19
TPSA100.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.69
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340727
6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143341441
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
CID 89332304
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The IUPAC name of 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (CID 143450334) is 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.
What is the SMILES notation for 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The canonical SMILES for 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is CC.CCCN(CCC)c1cc(N)nc(OCCNc2ccccn2)c1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The InChIKey is HGLSEWPTVVDTII-YJXWIHHLSA-N. The full InChI is InChI=1S/C18H27N5O.C8H9N.C2H6/c1-3-10-23(11-4-2)15-13-16(19)22-18(14-15)24-12-9-21-17-7-5-6-8-20-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,22)(H,20,21);2-6,9H,1H3;1-2H3/b;9-6+;.
What are the key properties of 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine has a molecular weight of 478.69 g/mol, XLogP of 6.19, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is sourced from PubChem (CID 143450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).