(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol

C17H30N2O — CID 143279607

IUPAC(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol
SMILESC=C(NCC)C(/C=C(/O)C(=C)N(CCC)CCC)=C/C
InChIInChI=1S/C17H30N2O/c1-7-11-19(12-8-2)15(6)17(20)13-16(9-3)14(5)18-10-4/h9,13,18,20H,5-8,10-12H2,1-4H3/b16-9+,17-13+
InChIKeyMIPHHYSVHOVSKW-LRUHSSMMSA-N
MW278.44 g/mol
LogP4.13
Rot. Bonds10

About (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol

(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol (PubChem CID 143279607) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol
PubChem CID143279607
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol
SMILESC=C(NCC)C(/C=C(/O)C(=C)N(CCC)CCC)=C/C
InChIInChI=1S/C17H30N2O/c1-7-11-19(12-8-2)15(6)17(20)13-16(9-3)14(5)18-10-4/h9,13,18,20H,5-8,10-12H2,1-4H3/b16-9+,17-13+
InChIKeyMIPHHYSVHOVSKW-LRUHSSMMSA-N
XLogP4.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol
CID 134526883
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol;ethane
CID 142345337
ethane;(3E,5E)-5-(propylamino)octa-3,5-dien-4-ol
CID 143711001
ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840241
ethane;(2E,4E,6Z)-4-[[(2E,4Z)-2-ethenyl-3-methylhexa-2,4-dienyl]amino]octa-2,4,6-trien-3-ol
CID 144851096
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
CID 146259255
(3E,5Z)-5-[[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methyl]hepta-1,3,5-trien-4-ol
CID 155184988
ethane;3-[[(3E)-5-methylhexa-3,5-dien-3-yl]amino]buta-1,3-dien-2-ol
CID 156715584
(3E)-2-(propylamino)hexa-1,3-dien-3-ol
CID 166783149
(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
CID 167081254
3-[[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]amino]prop-1-en-2-ol
CID 169612208
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol
CID 142345338

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol (CID 143279607) is (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol is C=C(NCC)C(/C=C(/O)C(=C)N(CCC)CCC)=C/C.
What is the InChIKey of (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol?
The InChIKey is MIPHHYSVHOVSKW-LRUHSSMMSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-11-19(12-8-2)15(6)17(20)13-16(9-3)14(5)18-10-4/h9,13,18,20H,5-8,10-12H2,1-4H3/b16-9+,17-13+.
What are the key properties of (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol?
(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol has a molecular weight of 278.44 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol is sourced from PubChem (CID 143279607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).