ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine

C29H52N6O2 — CID 143341673

IUPACethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCN2CCOCC2)c1.[H]/N=C/c1cc(C)ccc1N
InChIInChI=1S/C17H30N4O2.C8H10N2.2C2H6/c1-3-5-21(6-4-2)15-13-16(18)19-17(14-15)23-12-9-20-7-10-22-11-8-20;1-6-2-3-8(10)7(4-6)5-9;2*1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-5,9H,10H2,1H3;2*1-2H3/b;9-5+;;
InChIKeyDUMXJEXYKYBWBV-HMODKEHQSA-N
MW516.78 g/mol
LogP5.63
Rot. Bonds10

About ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine

ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 143341673) has the molecular formula C29H52N6O2 and a molecular weight of 516.78 g/mol. Its IUPAC name is ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

Compound Nameethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
PubChem CID143341673
Molecular FormulaC29H52N6O2
Molecular Weight516.78 g/mol
Exact Mass516.42
IUPAC Nameethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCN2CCOCC2)c1.[H]/N=C/c1cc(C)ccc1N
InChIInChI=1S/C17H30N4O2.C8H10N2.2C2H6/c1-3-5-21(6-4-2)15-13-16(18)19-17(14-15)23-12-9-20-7-10-22-11-8-20;1-6-2-3-8(10)7(4-6)5-9;2*1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-5,9H,10H2,1H3;2*1-2H3/b;9-5+;;
InChIKeyDUMXJEXYKYBWBV-HMODKEHQSA-N
XLogP5.63
TPSA113.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.78
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
4-[(dipropylamino)methyl]-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143533609
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
ethane;6-N-methyl-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 143533372
4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340727
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143450334
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144

Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine?
The IUPAC name of ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine (CID 143341673) is ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine.
What is the SMILES notation for ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine?
The canonical SMILES for ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine is CC.CC.CCCN(CCC)c1cc(N)nc(OCCN2CCOCC2)c1.[H]/N=C/c1cc(C)ccc1N.
What is the InChIKey of ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine?
The InChIKey is DUMXJEXYKYBWBV-HMODKEHQSA-N. The full InChI is InChI=1S/C17H30N4O2.C8H10N2.2C2H6/c1-3-5-21(6-4-2)15-13-16(18)19-17(14-15)23-12-9-20-7-10-22-11-8-20;1-6-2-3-8(10)7(4-6)5-9;2*1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-5,9H,10H2,1H3;2*1-2H3/b;9-5+;;.
What are the key properties of ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine?
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 516.78 g/mol, XLogP of 5.63, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 143341673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).