ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene

C32H44N2O — CID 145094319

IUPACethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene
SMILESC=CCCC.CC.[H]/N=C/C=C\Cc1c(CNC(=C)C(C)C/C=C\C)ccc2c1oc1ccccc12
InChIInChI=1S/C25H28N2O.C5H10.C2H6/c1-4-5-10-18(2)19(3)27-17-20-14-15-23-22-12-6-7-13-24(22)28-25(23)21(20)11-8-9-16-26;1-3-5-4-2;1-2/h4-9,12-16,18,26-27H,3,10-11,17H2,1-2H3;3H,1,4-5H2,2H3;1-2H3/b5-4-,9-8-,26-16+;;
InChIKeyKSDQZBQHKCNYSE-HISIVBCTSA-N
MW472.72 g/mol
LogP9.54
Rot. Bonds11

About ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene

ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene (PubChem CID 145094319) has the molecular formula C32H44N2O and a molecular weight of 472.72 g/mol. Its IUPAC name is ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene.

Molecular Properties

Compound Nameethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene
PubChem CID145094319
Molecular FormulaC32H44N2O
Molecular Weight472.72 g/mol
Exact Mass472.35
IUPAC Nameethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene
SMILESC=CCCC.CC.[H]/N=C/C=C\Cc1c(CNC(=C)C(C)C/C=C\C)ccc2c1oc1ccccc12
InChIInChI=1S/C25H28N2O.C5H10.C2H6/c1-4-5-10-18(2)19(3)27-17-20-14-15-23-22-12-6-7-13-24(22)28-25(23)21(20)11-8-9-16-26;1-3-5-4-2;1-2/h4-9,12-16,18,26-27H,3,10-11,17H2,1-2H3;3H,1,4-5H2,2H3;1-2H3/b5-4-,9-8-,26-16+;;
InChIKeyKSDQZBQHKCNYSE-HISIVBCTSA-N
XLogP9.54
TPSA49.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene with MolForge

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Launch Full Analysis

Related Compounds

1-fluoro-2-[(3E,5Z)-octa-3,5-dien-3-yl]benzene;(Z)-4-(3-methyldibenzofuran-4-yl)but-2-en-1-imine
CID 144857274
(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
ethane;(2Z)-2-[2-(3-fluorodibenzofuran-4-yl)ethylidene]pent-4-en-1-imine
CID 145272727
(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 145014028
3-prop-2-enyldibenzofuran-4-ol
CID 59860896
(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane
CID 145258762
3-benzyl-4-phenyldibenzofuran;cumene;ethane;1-phenylethanimine;phenylmethanimine
CID 142453173
3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid
CID 142017929
3-butanimidoyl-1-benzofuran-2-ol
CID 176914526
(E)-N-[(2-chloro-1-benzofuran-3-yl)methyl]pent-3-en-1-amine
CID 115777550
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
4-ethyl-3-[(3Z)-5-(10-phenylanthracen-9-yl)hexa-1,3,5-trien-2-yl]oxydibenzofuran
CID 122419026

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene?
The IUPAC name of ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene (CID 145094319) is ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene.
What is the SMILES notation for ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene?
The canonical SMILES for ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene is C=CCCC.CC.[H]/N=C/C=C\Cc1c(CNC(=C)C(C)C/C=C\C)ccc2c1oc1ccccc12.
What is the InChIKey of ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene?
The InChIKey is KSDQZBQHKCNYSE-HISIVBCTSA-N. The full InChI is InChI=1S/C25H28N2O.C5H10.C2H6/c1-4-5-10-18(2)19(3)27-17-20-14-15-23-22-12-6-7-13-24(22)28-25(23)21(20)11-8-9-16-26;1-3-5-4-2;1-2/h4-9,12-16,18,26-27H,3,10-11,17H2,1-2H3;3H,1,4-5H2,2H3;1-2H3/b5-4-,9-8-,26-16+;;.
What are the key properties of ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene?
ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene has a molecular weight of 472.72 g/mol, XLogP of 9.54, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene is sourced from PubChem (CID 145094319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).