2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane

C23H46N4O2 — CID 143847042

IUPAC2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
SMILESC=C(CCCOc1cc(N(CCC)CCC)cc(N)n1)NCCO.CC.CCC
InChIInChI=1S/C18H32N4O2.C3H8.C2H6/c1-4-9-22(10-5-2)16-13-17(19)21-18(14-16)24-12-6-7-15(3)20-8-11-23;1-3-2;1-2/h13-14,20,23H,3-12H2,1-2H3,(H2,19,21);3H2,1-2H3;1-2H3
InChIKeyOAWMMYHIXMPCIV-UHFFFAOYSA-N
MW410.65 g/mol
LogP4.99
Rot. Bonds13

About 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane

2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane (PubChem CID 143847042) has the molecular formula C23H46N4O2 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane.

Molecular Properties

Compound Name2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
PubChem CID143847042
Molecular FormulaC23H46N4O2
Molecular Weight410.65 g/mol
Exact Mass410.36
IUPAC Name2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
SMILESC=C(CCCOc1cc(N(CCC)CCC)cc(N)n1)NCCO.CC.CCC
InChIInChI=1S/C18H32N4O2.C3H8.C2H6/c1-4-9-22(10-5-2)16-13-17(19)21-18(14-16)24-12-6-7-15(3)20-8-11-23;1-3-2;1-2/h13-14,20,23H,3-12H2,1-2H3,(H2,19,21);3H2,1-2H3;1-2H3
InChIKeyOAWMMYHIXMPCIV-UHFFFAOYSA-N
XLogP4.99
TPSA83.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
4-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]-N-cyclohexylbutanamide
CID 143340832
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine
CID 143341610
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane?
The IUPAC name of 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane (CID 143847042) is 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane.
What is the SMILES notation for 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane?
The canonical SMILES for 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane is C=C(CCCOc1cc(N(CCC)CCC)cc(N)n1)NCCO.CC.CCC.
What is the InChIKey of 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane?
The InChIKey is OAWMMYHIXMPCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.C3H8.C2H6/c1-4-9-22(10-5-2)16-13-17(19)21-18(14-16)24-12-6-7-15(3)20-8-11-23;1-3-2;1-2/h13-14,20,23H,3-12H2,1-2H3,(H2,19,21);3H2,1-2H3;1-2H3.
What are the key properties of 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane?
2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane has a molecular weight of 410.65 g/mol, XLogP of 4.99, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane is sourced from PubChem (CID 143847042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).