2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane

C31H53N5O2 — CID 143450441

IUPAC2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
SMILESC/C=C(\C)c1cc(Nc2cc(OCCN3CCOCC3)cc(N(CCC)CCC)n2)ccc1N.CC.CC
InChIInChI=1S/C27H41N5O2.2C2H6/c1-5-10-32(11-6-2)27-20-23(34-17-14-31-12-15-33-16-13-31)19-26(30-27)29-22-8-9-25(28)24(18-22)21(4)7-3;2*1-2/h7-9,18-20H,5-6,10-17,28H2,1-4H3,(H,29,30);2*1-2H3/b21-7+;;
InChIKeyCUPXZJGWVQZRJE-HSBSZRBOSA-N
MW527.80 g/mol
LogP7.22
Rot. Bonds12

About 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane

2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane (PubChem CID 143450441) has the molecular formula C31H53N5O2 and a molecular weight of 527.80 g/mol. Its IUPAC name is 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane.

Molecular Properties

Compound Name2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
PubChem CID143450441
Molecular FormulaC31H53N5O2
Molecular Weight527.80 g/mol
Exact Mass527.42
IUPAC Name2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
SMILESC/C=C(\C)c1cc(Nc2cc(OCCN3CCOCC3)cc(N(CCC)CCC)n2)ccc1N.CC.CC
InChIInChI=1S/C27H41N5O2.2C2H6/c1-5-10-32(11-6-2)27-20-23(34-17-14-31-12-15-33-16-13-31)19-26(30-27)29-22-8-9-25(28)24(18-22)21(4)7-3;2*1-2/h7-9,18-20H,5-6,10-17,28H2,1-4H3,(H,29,30);2*1-2H3/b21-7+;;
InChIKeyCUPXZJGWVQZRJE-HSBSZRBOSA-N
XLogP7.22
TPSA75.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.80
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane with MolForge

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Related Compounds

6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine
CID 143450181
2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine
CID 71166483
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143533554
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
4-[(dipropylamino)methyl]-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143533609
6-N-(2-methoxyethyl)-6-N-methyl-2-N-[(3-methylphenyl)methylideneamino]-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 66682197
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
CID 143450356
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane?
The IUPAC name of 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane (CID 143450441) is 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane.
What is the SMILES notation for 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane?
The canonical SMILES for 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane is C/C=C(\C)c1cc(Nc2cc(OCCN3CCOCC3)cc(N(CCC)CCC)n2)ccc1N.CC.CC.
What is the InChIKey of 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane?
The InChIKey is CUPXZJGWVQZRJE-HSBSZRBOSA-N. The full InChI is InChI=1S/C27H41N5O2.2C2H6/c1-5-10-32(11-6-2)27-20-23(34-17-14-31-12-15-33-16-13-31)19-26(30-27)29-22-8-9-25(28)24(18-22)21(4)7-3;2*1-2/h7-9,18-20H,5-6,10-17,28H2,1-4H3,(H,29,30);2*1-2H3/b21-7+;;.
What are the key properties of 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane?
2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane has a molecular weight of 527.80 g/mol, XLogP of 7.22, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane is sourced from PubChem (CID 143450441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).